data_2l3m_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 2l3m _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 ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.615 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 8.1 ptp -94.86 124.63 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.519 0.676 . . . . 0.0 112.104 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.09 135.71 49.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.808 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -91.63 105.77 17.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.53 135.54 53.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -112.72 114.07 26.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.402 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' N ' HD11 ' A' ' 9' ' ' LEU . 6.5 mp -99.19 128.37 45.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.476 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -80.65 133.44 35.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.703 HG22 HG23 ' A' ' 45' ' ' VAL . 12.3 t -121.21 118.26 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.668 -168.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 12.9 mm-40 -104.99 108.41 19.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.59 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -6.31 1.0 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.305 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.434 ' SD ' HG21 ' A' ' 23' ' ' ILE . 61.4 mtm -93.63 90.27 6.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.282 0.541 . . . . 0.0 110.506 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -101.15 -14.95 17.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.656 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -125.08 162.5 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.989 0.423 . . . . 0.0 111.797 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.6 -33.47 67.25 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.694 -0.685 . . . . 0.0 113.226 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -65.02 -22.57 67.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.283 0.542 . . . . 0.0 110.671 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.534 ' O ' HG23 ' A' ' 23' ' ' ILE . 60.8 m -63.96 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.161 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -50.29 -60.89 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.929 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.03 -40.56 94.05 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.991 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.62 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.187 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.534 HG23 ' O ' ' A' ' 19' ' ' CYS . 13.8 tt -67.65 -37.92 79.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 11.6 pt-20 -61.05 -42.54 98.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.85 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 37.4 m -73.07 -34.93 66.53 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.185 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 m -53.64 -36.75 62.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.99 0.424 . . . . 0.0 110.087 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 59' ' ' ILE . 19.1 t -82.81 -49.26 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.375 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 4.2 tmtt? -58.15 -41.94 84.82 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 25' ' ' SER . 54.1 mt-10 -63.01 -24.42 67.91 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.942 0.401 . . . . 0.0 110.886 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.07 120.52 15.04 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 125.78 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 0.0 110.698 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.09 -22.07 9.9 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.0 t -80.53 130.88 35.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.03 0.443 . . . . 0.0 110.013 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -91.56 -68.73 0.78 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.508 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -136.88 149.8 47.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.706 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.566 HG13 HG12 ' A' ' 47' ' ' VAL . 33.6 m -127.69 132.26 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 110.334 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 84.8 mttt -114.33 92.91 4.12 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 p -87.82 111.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.409 0.623 . . . . 0.0 110.013 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -100.6 94.08 5.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.736 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.19 -48.95 77.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.951 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.36 62.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.958 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.79 -25.56 18.09 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.244 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 27.76 50.99 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.755 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.4 p -136.17 149.06 48.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.024 0.44 . . . . 0.0 111.699 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.703 HG23 HG22 ' A' ' 11' ' ' VAL . 60.9 t -123.71 112.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.785 174.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 37.5 tt0 -93.36 109.64 21.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.644 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.566 HG12 HG13 ' A' ' 36' ' ' VAL . 27.0 t -116.74 135.0 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.873 0.368 . . . . 0.0 111.501 -174.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 4' ' ' MET . 7.6 m -96.83 110.12 22.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.4 pt -115.74 146.94 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.901 0.381 . . . . 0.0 111.724 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -87.44 102.55 14.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 t -75.62 0.97 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.552 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.5 t -91.52 1.04 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.256 0.55 . . . . 0.0 109.78 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.0 t -131.48 -62.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.584 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.03 146.83 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.728 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' HG12 ' A' ' 59' ' ' ILE . 21.8 p -97.32 168.91 10.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.748 0.309 . . . . 0.0 110.583 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.81 -37.14 73.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -64.43 -42.85 95.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.315 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.2 -47.69 68.7 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 27' ' ' VAL . 46.0 mm -56.17 -55.69 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.522 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 70' ' ' VAL . 88.3 t -60.27 -49.38 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -48.14 74.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.73 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 96.7 t -66.57 -44.45 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.908 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 59' ' ' ILE . 62.6 mt -58.46 -48.78 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.281 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.584 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 31.3 mt-10 -68.02 -33.17 74.1 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.993 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.82 -31.66 72.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.059 0.456 . . . . 0.0 110.189 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 15.1 mm100 -74.58 -8.83 57.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.946 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.58 36.8 2.74 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.388 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 53.5 m-85 -128.52 148.71 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.965 0.383 . . . . 0.0 110.476 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.5 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 24.8 t70 -105.29 112.91 26.2 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' A' ' 11' ' ' VAL . 16.0 m . . . . . 0 C--N 1.32 -0.696 0 CA-C-O 120.972 0.415 . . . . 0.0 111.239 -175.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.596 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.8 ptm -90.17 128.42 36.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.636 0.732 . . . . 0.0 111.838 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 48' ' ' THR . 51.4 mm-40 -110.41 149.51 30.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -123.44 97.86 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.017 0.436 . . . . 0.0 110.296 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.612 HD23 HD12 ' A' ' 56' ' ' LEU . 50.9 tp -100.44 128.99 46.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.629 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -109.03 104.78 14.06 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.94 142.44 39.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 0.0 111.296 -176.221 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.635 ' HA ' HG23 ' A' ' 44' ' ' THR . 46.2 mt-30 -81.33 138.46 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.109 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.795 HG21 HG21 ' A' ' 45' ' ' VAL . 56.9 t -113.15 115.57 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.946 0.403 . . . . 0.0 111.747 -173.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -96.63 109.92 22.45 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.24 -106.33 0.29 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.243 -0.503 . . . . 0.0 111.887 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.9 mmt 61.49 178.29 0.12 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.365 0.666 . . . . 0.0 112.376 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -174.34 -52.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.494 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -149.29 -169.49 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.354 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.72 -13.03 83.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.647 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -64.85 -50.48 66.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.569 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 25.4 p -64.64 -24.12 67.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.11 -49.14 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -68.74 -33.25 73.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.915 0.388 . . . . 0.0 110.255 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.33 -57.9 10.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.388 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 38' ' ' VAL . 12.8 tt -63.75 -33.9 64.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.975 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.07 -53.63 40.02 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.615 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 24.7 m -71.81 -31.74 66.87 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.535 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -53.82 -37.77 63.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.961 0.41 . . . . 0.0 110.001 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.52 HG13 HG11 ' A' ' 47' ' ' VAL . 19.4 t -83.21 -48.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.511 172.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.615 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 29.0 tptp -59.14 -37.78 78.08 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.47 -25.43 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.055 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.323 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.69 124.77 24.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.013 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.13 -15.47 33.26 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.918 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 49' ' ' ILE . 87.3 t -81.41 125.89 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.18 0.514 . . . . 0.0 110.824 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.954 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 3.8 tp10 -89.52 -67.08 0.86 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.58 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.954 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 94.1 mt-30 -134.61 145.52 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.845 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG11 HG21 ' A' ' 47' ' ' VAL . 38.3 t -129.13 123.29 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.037 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.77 ' HG3' ' HB3' ' A' ' 46' ' ' GLU . 14.5 ptmt -123.32 94.58 4.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.311 0.577 . . . . 0.0 110.449 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.771 HG11 HG22 ' A' ' 45' ' ' VAL . 54.2 t -87.33 130.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.816 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -109.22 123.13 48.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.394 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -45.78 15.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.125 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.57 -54.94 41.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.912 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.28 -31.13 63.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.702 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.96 40.82 29.37 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.635 HG23 ' HA ' ' A' ' 10' ' ' GLN . 18.1 p -133.88 147.13 51.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.849 0.356 . . . . 0.0 110.228 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.795 HG21 HG21 ' A' ' 11' ' ' VAL . 95.1 t -115.54 121.05 66.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.028 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.77 ' HB3' ' HG3' ' A' ' 37' ' ' LYS . 27.9 tt0 -106.45 124.52 49.72 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.52 HG11 HG13 ' A' ' 27' ' ' VAL . 43.0 t -126.42 135.91 62.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.954 0.407 . . . . 0.0 111.401 -175.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 18.0 m -104.9 112.64 25.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' A' ' 4' ' ' MET . 26.6 pt -121.57 154.08 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.624 -175.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -88.71 98.68 11.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 m -78.8 3.02 17.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.657 -170.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.8 m -80.8 -11.2 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.172 0.511 . . . . 0.0 109.722 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -121.19 -63.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.588 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 51' ' ' SER . 12.3 p -102.18 141.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.4 p -97.07 172.22 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.76 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.612 HD12 HD23 ' A' ' 7' ' ' LEU . 3.6 mm? -70.25 -31.3 68.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.3 -43.07 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.003 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.33 -45.6 80.27 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.01 0.433 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.424 HD12 HG11 ' A' ' 27' ' ' VAL . 49.2 mm -58.8 -54.98 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.5 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.6 -43.67 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.6 89.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.543 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 95.0 t -75.11 -34.64 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.86 0.362 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.68 -49.54 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.45 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 32.1 mt-10 -66.17 -26.42 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.248 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.3 -24.8 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 73.2 mm-40 -80.71 -2.28 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.59 26.6 8.51 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.623 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.558 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 57.7 m-85 -114.85 149.44 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.44 100.98 9.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 171.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 11' ' ' VAL . 15.7 m . . . . . 0 C--N 1.318 -0.77 0 CA-C-O 121.364 0.602 . . . . 0.0 112.23 -171.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.945 0.403 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.59 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 52.3 mtt -83.18 109.21 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.253 0.549 . . . . 0.0 112.258 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -104.7 142.33 34.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.753 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -108.83 96.92 6.65 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 3.0 mm? -92.83 125.53 37.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 9.4 m -111.85 104.71 13.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.871 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.527 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -103.63 146.51 28.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.885 -176.212 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 26.6 mt-30 -76.29 131.61 39.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.52 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.69 HG21 HG21 ' A' ' 45' ' ' VAL . 23.2 t -113.77 107.48 23.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.803 0.335 . . . . 0.0 111.431 -175.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 61.1 mm-40 -88.97 118.64 28.83 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.62 25.52 1.41 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.564 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.482 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 19.4 mmt -73.51 112.08 9.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.367 . . . . 0.0 110.251 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.646 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 43.3 t -102.28 -76.85 0.57 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.507 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -141.24 -177.15 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.603 0.24 . . . . 0.0 111.277 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.17 -40.61 84.27 Favored Glycine 0 CA--C 1.521 0.452 0 CA-C-N 115.921 -0.582 . . . . 0.0 114.332 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -61.13 -27.52 68.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 117.418 0.609 . . . . 0.0 111.447 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 31.2 m -64.17 -28.48 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.14 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 HG12 ' A' ' 38' ' ' VAL . 73.0 t -58.67 -56.24 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.404 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -61.91 -39.86 93.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.378 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -62.21 1.81 Allowed 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.592 0.557 . . . . 0.0 111.117 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.543 HG21 ' O ' ' A' ' 19' ' ' CYS . 11.0 tt -67.58 -34.61 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.004 -177.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.88 -60.01 3.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.409 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.6 m -73.17 -30.79 63.81 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.837 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -53.61 -34.53 58.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.318 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.628 HG13 HD12 ' A' ' 59' ' ' ILE . 35.4 t -84.02 -48.17 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HA ' HG13 ' A' ' 33' ' ' VAL . 61.7 tttm -64.08 -31.56 72.8 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.76 -11.61 61.06 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 111.266 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 59' ' ' ILE . 30.4 mt -78.0 172.37 13.6 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 15.9 t-20 -85.04 153.05 22.98 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.29 17.51 66.22 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.065 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 28' ' ' LYS . 77.8 t -103.13 115.71 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-O 121.551 0.691 . . . . 0.0 110.021 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -87.24 -55.61 3.73 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.775 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.44 153.86 31.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 47' ' ' VAL . 35.9 m -130.73 156.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.341 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -144.19 93.95 2.51 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.54 HG12 HG13 ' A' ' 20' ' ' VAL . 2.3 p -87.89 109.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.395 0.617 . . . . 0.0 109.742 175.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -91.23 102.39 15.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.755 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.87 -47.66 82.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.193 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.33 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 111.532 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -82.79 -22.95 34.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' HA2' ' HG3' ' A' ' 14' ' ' MET . . . 72.15 28.13 68.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.842 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -132.25 153.7 50.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 110.713 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.69 HG21 HG21 ' A' ' 11' ' ' VAL . 76.6 t -129.93 120.11 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.077 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.6 tt0 -99.59 126.33 45.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 36' ' ' VAL . 39.3 t -123.56 128.68 74.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.566 178.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -96.61 103.19 15.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.634 HG23 HG12 ' A' ' 47' ' ' VAL . 23.3 pt -117.08 162.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.157 0.503 . . . . 0.0 111.404 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -91.21 107.26 19.08 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.929 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.3 p -76.07 0.67 17.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -94.4 -7.1 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.31 -54.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.623 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.6 p -109.39 152.24 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -95.19 156.85 16.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 57' ' ' LYS . 4.4 pp -68.06 -28.8 67.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.445 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.3 tmtt? -64.72 -37.1 86.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -56.42 -46.71 80.09 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 30' ' ' LEU . 42.7 mm -55.43 -56.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.215 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.585 HG11 HG23 ' A' ' 70' ' ' VAL . 60.7 t -57.37 -45.52 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.362 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.26 81.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.494 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 76.4 t -73.21 -43.87 56.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.695 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.3 mt -58.12 -52.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.694 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 42.8 mt-10 -64.18 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.986 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.4 -25.9 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 33.0 mm-40 -77.0 -9.79 58.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.35 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 43.53 1.3 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 81.2 m-85 -136.45 150.97 48.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.389 . . . . 0.0 110.449 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.867 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 9.1 m-20 -108.17 102.14 11.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.566 173.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.585 HG23 HG11 ' A' ' 60' ' ' VAL . 29.9 m . . . . . 0 C--N 1.318 -0.801 0 CA-C-O 121.272 0.558 . . . . 0.0 110.89 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.47 ' HE1' ' HG3' ' A' ' 34' ' ' GLU . 76.9 mmm -84.3 121.15 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -126.83 138.15 53.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.728 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -107.84 109.74 21.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -111.62 142.13 44.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -104.0 109.89 21.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.68 145.09 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.761 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -96.61 126.63 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.631 ' HB ' ' HE1' ' A' ' 14' ' ' MET . 13.9 t -115.33 110.54 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.528 -170.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.658 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 8.1 mm-40 -93.1 130.99 38.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.368 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.05 68.41 1.29 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.459 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.631 ' HE1' ' HB ' ' A' ' 11' ' ' VAL . 52.9 mtt -97.24 -167.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.669 -0.313 . . . . 0.0 110.428 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -125.6 -81.7 0.63 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.957 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 t -167.82 -74.23 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.219 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.57 -53.43 0.23 Allowed Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.87 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -67.07 -24.34 65.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.065 0.459 . . . . 0.0 111.183 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.594 ' O ' HG23 ' A' ' 23' ' ' ILE . 8.8 p -63.04 -23.92 67.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.773 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.43 -57.94 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.019 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.04 -33.56 76.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.9 -56.41 21.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.748 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 19' ' ' CYS . 6.9 tp -66.81 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.995 0.426 . . . . 0.0 110.626 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -51.5 -55.02 21.24 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.551 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 14.7 p -73.17 -33.41 65.42 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.227 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.6 p -56.43 -32.7 65.14 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.208 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.534 HG12 HD11 ' A' ' 59' ' ' ILE . 22.7 t -82.94 -45.96 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 172.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 56.7 tptt -64.03 -31.76 73.06 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.66 -24.9 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.395 0.616 . . . . 0.0 110.473 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.645 HD21 HG23 ' A' ' 62' ' ' VAL . 43.4 mt -74.3 147.93 41.86 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.667 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -82.5 127.12 33.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 2.56 32.29 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.646 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.589 HG23 HG21 ' A' ' 49' ' ' ILE . 74.3 t -105.03 122.76 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.823 0.344 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.533 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 24.1 mm-40 -90.93 -67.99 0.82 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.812 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -124.74 141.32 52.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.582 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.66 98.01 4.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.84 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.527 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 45.0 mtmt -95.05 93.52 7.42 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.163 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.29 117.07 29.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.292 0.568 . . . . 0.0 110.485 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -96.5 93.36 6.75 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD22 ' HG ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -62.71 -36.25 82.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.566 -173.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.29 -13.76 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.185 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.57 -35.7 4.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.963 0.411 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.84 28.43 13.98 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.391 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 p -130.15 151.78 50.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.672 0.272 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG23 HG22 ' A' ' 11' ' ' VAL . 69.3 t -129.82 120.89 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.848 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 52.6 mt-10 -94.16 118.81 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG12 HG11 ' A' ' 27' ' ' VAL . 30.4 t -119.39 135.53 59.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.821 0.343 . . . . 0.0 111.439 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 34' ' ' GLU . 2.4 m -96.94 104.23 16.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.647 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.589 HG21 HG23 ' A' ' 33' ' ' VAL . 43.8 pt -115.55 151.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 111.252 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -90.02 99.85 12.79 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 169.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -72.5 -3.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.3 m -92.55 0.9 57.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.28 0.562 . . . . 0.0 109.873 174.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.58 -70.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.187 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -99.81 144.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -104.42 166.42 10.41 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.186 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.18 -37.79 81.28 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.807 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.617 ' HB3' ' HZ3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.3 -42.85 87.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.559 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -62.51 -42.51 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 110.031 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.534 HD11 HG12 ' A' ' 27' ' ' VAL . 35.7 mm -59.07 -51.58 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.597 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 t -54.0 -46.61 65.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.836 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.65 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.645 HG23 HD21 ' A' ' 30' ' ' LEU . 60.2 t -69.81 -45.42 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 49.5 mt -56.75 -51.57 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.647 0.261 . . . . 0.0 111.632 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 28.0 mt-10 -67.07 -31.41 71.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.983 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.52 -25.32 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.29 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.6 mm100 -79.47 -12.23 59.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.208 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.86 25.26 4.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.112 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 96.4 m-85 -113.52 153.33 28.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 110.476 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.658 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 28.6 t70 -109.85 112.42 24.44 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.318 -0.772 0 CA-C-O 121.289 0.566 . . . . 0.0 110.679 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.899 0.381 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.7 mmm -87.92 114.46 24.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.104 -173.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -115.22 126.86 55.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.116 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -111.25 113.94 26.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.808 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.03 145.18 50.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.738 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m -105.33 113.08 26.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.103 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.61 146.85 27.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 -177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.645 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.2 pt20 -94.35 128.73 41.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.7 ' HB ' ' HE3' ' A' ' 14' ' ' MET . 11.1 t -107.81 101.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.738 -174.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.87 117.07 29.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.2 34.7 0.93 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.49 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.7 ' HE3' ' HB ' ' A' ' 11' ' ' VAL . 49.5 mtt -78.62 138.27 38.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 111.585 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -92.74 3.48 55.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.984 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.1 t 70.02 139.69 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.634 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.19 -79.99 0.62 Allowed Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.548 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -58.35 -30.42 66.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.878 0.37 . . . . 0.0 111.233 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.491 ' O ' HG21 ' A' ' 23' ' ' ILE . 19.4 p -63.15 -27.23 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.8 -57.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.708 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -63.23 -38.91 93.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.964 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.75 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.839 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.491 HG21 ' O ' ' A' ' 19' ' ' CYS . 10.5 tp -69.48 -39.58 78.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.635 -176.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.6 -50.82 71.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.713 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 23.9 p -72.46 -32.34 66.17 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.432 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -53.32 -41.14 65.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.743 HG13 HG11 ' A' ' 47' ' ' VAL . 21.2 t -84.24 -43.6 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.288 174.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 40.3 ttmt -64.27 -32.73 74.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -173.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.6 mt-10 -67.34 -30.72 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.997 0.427 . . . . 0.0 110.45 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 HD23 HG21 ' A' ' 62' ' ' VAL . 52.9 mt -62.33 138.99 58.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.045 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -78.11 120.64 23.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.12 15.6 8.34 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.471 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 49' ' ' ILE . 71.4 t -118.53 127.09 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 121.16 0.505 . . . . 0.0 109.885 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.87 -52.92 4.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.029 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.5 148.48 28.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.678 HG11 HG22 ' A' ' 47' ' ' VAL . 22.3 t -127.85 116.22 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.667 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -114.53 94.83 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.759 HG23 HG23 ' A' ' 45' ' ' VAL . 3.6 p -83.16 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -108.81 98.36 7.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.535 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.64 -44.04 97.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -44.43 63.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.2 -19.29 25.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.868 0.366 . . . . 0.0 111.552 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.33 44.47 13.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.459 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' HA ' ' A' ' 10' ' ' GLN . 1.4 p -145.25 161.55 39.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.759 HG23 HG23 ' A' ' 38' ' ' VAL . 8.7 t -134.45 127.96 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -97.77 107.4 19.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.347 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.743 HG11 HG13 ' A' ' 27' ' ' VAL . 36.4 t -113.65 140.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.576 -172.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -113.04 110.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.507 HG22 HG23 ' A' ' 33' ' ' VAL . 18.3 pt -115.54 167.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -100.44 104.46 15.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -74.28 1.09 12.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -93.07 -6.38 48.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.17 0.509 . . . . 0.0 110.243 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -122.52 -51.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.99 -177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -111.81 151.46 13.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.1 p -104.14 161.34 14.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.295 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.26 -35.04 77.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.7 tmtm? -63.61 -39.58 94.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -56.12 -49.62 73.4 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.036 0.446 . . . . 0.0 109.919 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.604 HD11 HG11 ' A' ' 27' ' ' VAL . 41.7 mm -55.84 -57.37 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.298 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.584 HG11 HG22 ' A' ' 70' ' ' VAL . 74.2 t -56.6 -50.59 72.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.104 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.05 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.833 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 86.8 t -66.31 -37.63 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.721 0.295 . . . . 0.0 110.633 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.6 mt -65.85 -50.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.366 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.86 -29.23 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.06 -23.72 67.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.105 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 61.4 mm-40 -82.85 0.64 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.757 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.89 44.47 3.34 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.091 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.78 157.93 42.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.686 0.279 . . . . 0.0 110.737 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -111.5 108.8 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.62 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG22 HG11 ' A' ' 60' ' ' VAL . 35.7 m . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.258 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.719 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -86.39 132.75 33.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.58 . . . . 0.0 111.453 -178.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 48' ' ' THR . 52.5 mm-40 -111.53 143.73 41.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.111 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -100.14 95.45 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.8 mt -109.59 121.66 45.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.096 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.439 HG22 ' HG2' ' A' ' 46' ' ' GLU . 90.1 m -98.99 104.72 16.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.949 178.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.506 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 1.5 pp -101.0 147.96 25.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.715 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -91.02 142.83 27.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.146 0.498 . . . . 0.0 110.78 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 HG21 ' A' ' 45' ' ' VAL . 17.6 t -118.54 121.18 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.6 -174.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -109.52 125.53 52.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.807 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.14 47.49 1.14 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.2 mmt -76.62 125.03 28.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.654 -0.321 . . . . 0.0 110.439 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 7.1 m -65.44 -69.2 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.541 -177.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p -164.38 -81.81 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.65 -53.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -61.47 -15.41 37.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 111.189 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.572 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.4 p -60.25 -31.88 70.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.637 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.686 HG12 ' HB ' ' A' ' 38' ' ' VAL . 96.3 t -61.85 -50.38 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.53 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.79 -44.01 94.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.637 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -56.95 15.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.433 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.688 HG22 HG22 ' A' ' 38' ' ' VAL . 11.4 tt -67.14 -34.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.974 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.34 -53.96 49.65 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.444 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 p -72.06 -32.27 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.581 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -54.72 -36.93 65.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.127 0.489 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG11 HD12 ' A' ' 59' ' ' ILE . 58.3 t -83.08 -45.41 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.72 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -67.42 -31.5 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -171.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.01 -25.91 66.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 120.987 0.423 . . . . 0.0 110.646 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.31 133.44 54.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.58 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.22 114.43 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.65 -4.48 13.16 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.906 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.748 HG21 HG21 ' A' ' 49' ' ' ILE . 70.7 t -94.85 115.11 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.55 0.691 . . . . 0.0 110.618 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.75 -56.11 4.78 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.058 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -149.96 155.77 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.587 HG23 HG21 ' A' ' 47' ' ' VAL . 3.2 p -148.4 116.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.606 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -108.2 107.55 18.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.617 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.688 HG22 HG22 ' A' ' 23' ' ' ILE . 50.9 t -85.19 115.38 26.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.358 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -100.54 102.2 13.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.203 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -48.0 69.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.357 -176.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -29.95 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.255 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 44' ' ' THR . 33.9 tt0 -93.93 -29.34 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.911 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.56 36.36 16.93 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.779 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 42' ' ' GLU . 69.8 p -138.09 162.9 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.918 0.389 . . . . 0.0 110.644 -177.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.661 HG21 HG23 ' A' ' 11' ' ' VAL . 97.3 t -133.62 117.35 26.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HG2' HG22 ' A' ' 8' ' ' THR . 19.4 mt-10 -94.49 108.74 20.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.648 HG12 HG23 ' A' ' 49' ' ' ILE . 6.1 t -112.55 136.56 48.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.974 -175.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 26.4 m -112.25 101.63 9.85 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.748 HG21 HG21 ' A' ' 33' ' ' VAL . 33.0 pt -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.013 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -74.2 99.44 3.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.5 p -76.04 8.01 3.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.468 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 m -90.16 -16.68 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.271 0.558 . . . . 0.0 109.737 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.92 -65.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.951 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -99.84 140.4 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -95.67 166.08 12.0 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.78 -30.98 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -64.1 -43.82 94.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.81 -44.7 78.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.31 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 27' ' ' VAL . 46.0 mm -57.97 -55.87 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.387 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.511 HG12 ' HB ' ' A' ' 70' ' ' VAL . 58.2 t -63.08 -41.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.034 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.8 78.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.021 0.439 . . . . 0.0 111.365 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.6 t -73.49 -45.79 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.7 mt -54.15 -51.71 44.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.56 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.9 -32.87 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.191 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.49 -24.88 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.0 110.838 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.59 -14.68 61.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.998 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.22 42.71 0.75 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.886 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 84.9 m-85 -137.59 162.04 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.91 128.15 47.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.511 ' HB ' HG12 ' A' ' 60' ' ' VAL . 62.2 t . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.992 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.516 0.198 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.48 ' HE3' HG22 ' A' ' 48' ' ' THR . 88.2 mmm -82.73 113.05 20.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -114.34 142.23 46.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.707 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -116.48 113.19 22.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -115.14 168.59 9.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.832 0.348 . . . . 0.0 111.124 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.6 m -133.36 118.93 19.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.247 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -114.09 144.92 42.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.359 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.8 pt20 -77.69 141.82 39.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.416 ' HA ' HG13 ' A' ' 70' ' ' VAL . 2.1 p -117.97 102.86 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.609 0.718 . . . . 0.0 111.271 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 21.3 mm-40 -98.79 127.36 44.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.558 173.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.41 8.27 4.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.059 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.47 ' SD ' HD23 ' A' ' 40' ' ' LEU . 62.2 mtm -67.8 157.62 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.758 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 t -147.53 -72.64 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 0.0 110.458 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -121.43 -170.52 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.73 -20.73 68.57 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.841 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -73.55 -26.84 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.686 -0.302 . . . . 0.0 111.328 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.1 p -65.92 -26.35 67.56 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.751 HG11 ' HB ' ' A' ' 38' ' ' VAL . 91.1 t -58.54 -54.22 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.676 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.67 -41.43 81.55 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.697 ' HB3' ' HH ' ' A' ' 68' ' ' TYR . . . -53.56 -60.57 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.513 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 HG21 HG22 ' A' ' 38' ' ' VAL . 13.6 tt -70.7 -33.56 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.618 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.513 ' HG3' HG23 ' A' ' 36' ' ' VAL . 36.0 tt0 -51.95 -55.63 19.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.476 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.528 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.3 m -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.63 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' HD22 ' A' ' 30' ' ' LEU . 68.4 m -55.73 -34.56 65.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.334 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.675 HG22 HD12 ' A' ' 63' ' ' ILE . 15.1 t -84.25 -52.83 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.7 tptt -55.86 -41.37 74.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -62.58 -32.98 74.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.46 . . . . 0.0 111.104 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 1.6 mm? -55.94 130.01 42.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.305 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.524 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 13.7 t-20 -69.46 116.14 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.2 -9.71 11.04 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -90.62 134.33 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.431 177.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -99.47 -69.69 0.76 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.002 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -132.63 145.68 51.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.834 0.35 . . . . 0.0 111.439 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.523 HG11 HG12 ' A' ' 47' ' ' VAL . 22.0 m -134.99 137.0 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -129.23 95.79 4.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.125 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.751 ' HB ' HG11 ' A' ' 20' ' ' VAL . 47.1 t -78.41 122.89 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.06 177.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -104.92 105.73 15.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD23 ' SD ' ' A' ' 14' ' ' MET . 1.1 tm? -65.3 -40.29 93.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.771 -175.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.24 83.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.255 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.23 -26.72 23.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.74 28.09 48.14 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.069 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -133.47 162.07 32.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 38' ' ' VAL . 48.8 t -127.98 125.81 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -92.72 130.81 38.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG12 HG11 ' A' ' 36' ' ' VAL . 52.9 t -133.59 130.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.389 . . . . 0.0 111.509 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.48 HG22 ' HE3' ' A' ' 4' ' ' MET . 4.2 m -99.21 109.53 22.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.197 172.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.505 HG21 HG13 ' A' ' 47' ' ' VAL . 35.6 pt -115.81 168.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.146 0.498 . . . . 0.0 110.955 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 12.3 t0 -103.9 101.81 11.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.5 t -77.56 4.11 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.296 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 m -98.04 -3.27 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.207 0.527 . . . . 0.0 109.976 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.8 t -120.7 -64.41 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.479 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.6 p -102.06 154.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.004 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -100.27 164.77 11.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 pp -75.32 -30.16 60.23 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.899 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.8 tmtm? -68.08 -43.88 77.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.21 -48.84 75.64 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.665 HG21 HG13 ' A' ' 27' ' ' VAL . 55.6 mt -58.95 -54.44 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.482 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.573 HG12 HG23 ' A' ' 70' ' ' VAL . 50.5 t -55.57 -42.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.95 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.785 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.8 t -66.5 -43.32 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.675 HD12 HG22 ' A' ' 27' ' ' VAL . 64.6 mt -62.92 -47.29 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.582 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.548 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 35.6 mt-10 -68.7 -25.27 64.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.682 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.44 -20.17 65.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -79.71 -10.4 59.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.427 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.28 2.74 33.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.343 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.697 ' HH ' ' HB3' ' A' ' 22' ' ' ALA . 98.7 m-85 -91.27 158.03 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 0.0 110.949 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 4.7 m-20 -116.74 104.88 11.79 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 171.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.573 HG23 HG12 ' A' ' 60' ' ' VAL . 34.0 m . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.558 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.347 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.3 mmm -86.72 97.0 10.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.515 -174.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -101.64 130.4 47.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.517 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -98.83 108.23 20.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.61 145.46 42.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.812 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.1 m -109.94 104.94 13.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.936 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.33 136.48 32.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.249 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.609 ' HA ' HG23 ' A' ' 44' ' ' THR . 16.0 pt20 -92.15 118.73 31.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.42 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.516 ' HA ' HG23 ' A' ' 70' ' ' VAL . 13.5 t -108.6 100.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.179 -175.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -98.59 116.11 30.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.507 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.91 42.88 0.76 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.846 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.496 ' HE3' ' HB ' ' A' ' 11' ' ' VAL . 19.6 mmt -58.58 149.88 24.48 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.043 0.449 . . . . 0.0 111.716 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 t -82.08 -74.99 0.32 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.189 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.63 -90.32 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.92 -54.51 0.07 OUTLIER Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.122 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -61.03 -22.32 64.44 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.24 0.543 . . . . 0.0 110.638 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.58 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.2 p -61.45 -24.48 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.972 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG11 HG12 ' A' ' 38' ' ' VAL . 75.1 t -56.98 -56.96 11.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 O-C-N 123.198 0.311 . . . . 0.0 110.7 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -69.44 -32.22 71.03 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.645 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -56.42 22.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.18 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.7 tt -68.43 -34.6 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.715 0.293 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.33 -52.82 60.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 46.2 m -72.4 -30.34 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.47 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.578 ' HB3' HG13 ' A' ' 62' ' ' VAL . 73.4 m -53.58 -37.77 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 59' ' ' ILE . 46.9 t -83.34 -51.79 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.046 173.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 24.7 ttmm -58.4 -40.05 81.37 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.84 -22.77 67.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 111.567 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.596 HD11 HD13 ' A' ' 59' ' ' ILE . 16.4 mt -71.4 132.95 45.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.473 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 26.8 t-20 -72.93 127.61 33.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.021 0.438 . . . . 0.0 111.16 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.65 0.61 27.56 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.419 HG12 HG11 ' A' ' 27' ' ' VAL . 77.0 t -95.33 122.51 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.294 0.568 . . . . 0.0 110.867 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -67.42 0.76 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -136.03 148.71 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.647 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG22 ' HB ' ' A' ' 27' ' ' VAL . 2.6 p -138.88 114.58 9.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.152 0.501 . . . . 0.0 110.364 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -116.88 101.41 8.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.34 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG23 HG21 ' A' ' 45' ' ' VAL . 3.9 p -85.5 117.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.347 0.594 . . . . 0.0 110.408 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.2 101.1 13.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.4 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.4 tm? -63.26 -41.35 99.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.979 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.01 -52.14 66.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.556 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.8 -34.84 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.38 . . . . 0.0 111.377 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.37 35.81 11.61 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.127 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 10' ' ' GLN . 21.7 p -139.91 160.27 40.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 HG23 ' A' ' 38' ' ' VAL . 33.6 t -128.44 120.43 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.745 0.307 . . . . 0.0 110.29 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.71 112.39 24.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.577 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.402 HG13 HG21 ' A' ' 49' ' ' ILE . 19.6 t -125.71 128.26 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.337 -175.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -96.02 111.7 23.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.402 HG21 HG13 ' A' ' 47' ' ' VAL . 27.5 pt -114.85 152.69 16.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 -176.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.04 95.66 10.41 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.0 t -74.74 -3.27 30.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.228 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.7 m -84.68 -13.69 50.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.173 0.511 . . . . 0.0 109.906 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -117.99 -62.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.136 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.5 p -101.96 148.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.99 158.1 15.73 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.84 -29.22 69.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -59.09 -40.62 85.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.54 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' O ' HG21 ' A' ' 62' ' ' VAL . 51.1 m-20 -56.03 -49.67 73.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.127 0.489 . . . . 0.0 110.032 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.746 HD11 HG13 ' A' ' 27' ' ' VAL . 36.8 mm -58.22 -52.07 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.284 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.07 -47.4 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.117 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.0 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.69 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' A' ' 26' ' ' SER . 47.4 t -65.93 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.881 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.8 -47.26 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.973 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.21 -26.57 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.592 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.63 -26.11 68.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.973 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -73.43 -9.96 59.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.25 27.82 6.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -116.15 160.16 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -114.19 117.62 31.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 11' ' ' VAL . 87.1 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.402 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 89.6 mmm -87.41 101.96 14.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.664 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.53 113.87 25.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.235 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -101.5 115.54 30.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.83 146.59 49.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 111.136 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -110.79 104.53 13.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.104 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' H ' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.33 141.38 28.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.621 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.5 pt20 -83.24 146.55 28.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 172.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.35 111.73 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.55 0.69 . . . . 0.0 111.431 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.788 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 5.7 mm-40 -87.19 111.93 21.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.638 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.37 -110.77 0.46 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.837 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.5 mtt 62.54 -170.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.289 0.636 . . . . 0.0 112.077 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 p -158.66 -73.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.774 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.2 t -153.83 -56.41 0.11 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.913 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -141.14 -33.69 0.12 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.318 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -63.42 -49.35 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.062 0.431 . . . . 0.0 110.949 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' HG22 ' A' ' 23' ' ' ILE . 96.8 m -63.6 -24.49 67.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.691 0.281 . . . . 0.0 111.23 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 76.7 t -61.71 -58.04 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.52 -23.62 60.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.723 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -57.31 12.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.471 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.4 tt -67.96 -34.58 67.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.647 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 40.2 tt0 -53.27 -52.62 58.45 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.299 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 p -73.46 -30.71 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.904 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' HD21 ' A' ' 30' ' ' LEU . 71.3 m -53.35 -40.83 65.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.501 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.611 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 5.7 p -83.88 -43.96 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.031 0.443 . . . . 0.0 111.163 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 7.6 tmtm? -57.46 -39.96 77.45 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.276 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.88 -23.79 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 3.9 mm? -62.42 129.53 41.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.358 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.525 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 51.3 t30 -71.46 111.43 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.602 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.94 18.03 4.83 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.045 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.72 122.55 59.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.113 0.483 . . . . 0.0 110.569 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.8 -66.61 0.82 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.729 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -138.04 152.56 48.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.665 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.18 122.04 55.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.271 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.698 ' HB3' ' HZ1' ' A' ' 37' ' ' LYS . 9.1 mtpm? -114.68 94.23 4.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.25 124.36 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.251 0.548 . . . . 0.0 110.013 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -106.01 95.79 6.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.355 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.33 -35.79 81.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.706 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.78 55.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.56 -21.42 14.73 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.74 30.36 61.89 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.728 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.472 HG21 ' HA ' ' A' ' 10' ' ' GLN . 22.8 p -134.64 165.8 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -134.92 124.81 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.226 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.637 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 43.9 mt-10 -98.4 115.83 29.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.864 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -126.91 128.89 71.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.825 0.345 . . . . 0.0 111.429 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.5 m -101.96 118.19 36.39 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' MET . 18.6 pt -115.65 160.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.518 . . . . 0.0 112.034 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -93.56 103.71 15.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 168.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 t -77.78 -0.03 25.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.019 0.438 . . . . 0.0 111.374 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.5 m -91.25 -13.1 33.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.085 0.469 . . . . 0.0 110.066 175.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.42 -58.65 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.276 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.525 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 9.7 p -105.08 156.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.2 p -108.06 160.99 15.36 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.1 tp -69.1 -36.14 77.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.893 0.377 . . . . 0.0 110.288 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -64.82 -42.62 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 -175.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 62' ' ' VAL . 19.2 m-20 -58.09 -41.64 83.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.052 0.453 . . . . 0.0 110.273 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.69 -51.49 61.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.777 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.409 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 71.6 t -55.93 -43.21 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.572 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.66 -54.76 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.078 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 30' ' ' LEU . 93.3 t -60.01 -44.02 93.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.585 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.448 HG22 HG12 ' A' ' 70' ' ' VAL . 72.7 mt -64.22 -50.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.6 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 38.7 mt-10 -66.41 -30.77 71.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.457 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.51 -21.96 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.767 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.2 mm-40 -84.73 2.94 39.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.797 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.32 44.29 4.39 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -129.81 154.63 47.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.788 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 35.4 t70 -113.84 100.39 8.4 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 17.9 m . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 120.896 0.379 . . . . 0.0 111.706 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.5 mmm -82.54 122.55 28.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -119.97 144.87 47.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -114.78 116.82 29.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.2 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.747 ' HG ' HD13 ' A' ' 56' ' ' LEU . 3.0 mm? -121.5 162.03 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -118.86 113.92 21.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.075 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.64 133.91 44.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.136 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.585 ' HA ' HG21 ' A' ' 44' ' ' THR . 1.6 pt20 -90.81 127.54 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 110.221 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.634 ' HB ' ' HE3' ' A' ' 14' ' ' MET . 10.8 t -113.3 106.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 43.4 mt-10 -94.73 123.86 38.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.282 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.03 40.96 2.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.023 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.634 ' HE3' ' HB ' ' A' ' 11' ' ' VAL . 50.9 mtt -77.96 124.74 28.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.899 0.35 . . . . 0.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -76.73 -2.06 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.61 ' HA ' HD21 ' A' ' 40' ' ' LEU . 42.1 t 72.33 164.78 0.29 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.363 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.62 -105.7 0.89 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.754 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.88 -12.94 60.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 110.916 -175.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' HG21 ' A' ' 23' ' ' ILE . 46.4 t -54.0 -35.17 61.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.498 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' CG1' ' A' ' 38' ' ' VAL . 69.9 t -57.45 -63.44 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.264 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.44 -37.41 75.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.113 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -60.06 4.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.212 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -67.87 -34.45 67.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 45.1 tt0 -55.27 -46.34 76.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.144 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.419 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 26.2 m -72.53 -34.74 67.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.292 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 m -54.38 -32.45 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 59' ' ' ILE . 13.7 t -83.38 -55.28 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.614 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 20.4 ttmm -57.37 -38.38 74.13 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.89 -19.1 64.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.141 0.496 . . . . 0.0 111.086 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 62' ' ' VAL . 36.4 mt -78.08 148.18 34.35 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.248 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.412 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 29.6 t30 -78.41 128.69 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.296 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.29 13.78 27.77 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.417 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 27' ' ' VAL . 86.4 t -104.55 136.52 37.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 O-C-N 122.637 -0.331 . . . . 0.0 110.538 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.705 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.8 tp10 -101.59 -69.14 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.514 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.705 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 21.3 mt-30 -143.45 149.17 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.189 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.655 HG11 HG13 ' A' ' 47' ' ' VAL . 27.0 m -130.1 137.81 55.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.25 0.548 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.719 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 44.6 mtpt -117.34 91.45 3.58 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 45' ' ' VAL . 2.7 p -88.12 115.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 0.0 110.56 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -96.82 103.65 15.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.654 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 16' ' ' CYS . 2.2 tm? -63.26 -48.02 79.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.002 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.24 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.672 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -82.76 -34.75 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.721 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.493 ' HA2' ' SD ' ' A' ' 14' ' ' MET . . . 82.34 31.18 31.64 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.387 -176.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' ' 10' ' ' GLN . 22.9 p -139.57 154.75 47.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.683 0.278 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 38' ' ' VAL . 22.9 t -127.26 121.28 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.893 0.378 . . . . 0.0 110.764 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 41.1 mt-10 -88.26 110.87 21.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.371 174.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.655 HG13 HG11 ' A' ' 36' ' ' VAL . 22.6 t -116.33 136.73 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.062 0.458 . . . . 0.0 112.016 -173.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 m -103.39 114.59 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.472 HG22 HG11 ' A' ' 47' ' ' VAL . 43.0 pt -121.75 156.31 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.06 97.99 7.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.399 167.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.8 p -68.33 -9.93 51.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.224 0.535 . . . . 0.0 111.044 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 m -87.61 -5.77 58.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.577 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -125.39 -64.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.1 p -106.25 138.55 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 p -94.28 165.39 12.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.735 -0.386 . . . . 0.0 109.991 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.747 HD13 ' HG ' ' A' ' 7' ' ' LEU . 10.1 tt -61.68 -40.49 95.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.401 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.2 tmtm? -66.97 -31.26 71.71 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.696 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.89 -51.93 65.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.238 0.542 . . . . 0.0 109.822 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.618 HD11 HG11 ' A' ' 27' ' ' VAL . 38.2 mm -54.81 -51.63 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.109 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.656 HG13 ' HB ' ' A' ' 70' ' ' VAL . 89.7 t -58.66 -45.47 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.457 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.53 -43.52 84.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.517 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.606 HG21 HD21 ' A' ' 30' ' ' LEU . 61.8 t -70.53 -36.47 66.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.514 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 59' ' ' ILE . 72.8 mt -66.55 -39.82 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 45.7 mt-10 -71.77 -39.06 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.874 0.369 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.06 -19.96 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.493 0.663 . . . . 0.0 109.993 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.26 -1.85 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.734 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.39 16.05 25.92 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.621 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 83.1 m-85 -108.46 157.4 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 0.0 111.214 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.628 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 13.2 m-20 -110.19 106.7 16.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 176.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.656 ' HB ' HG13 ' A' ' 60' ' ' VAL . 97.6 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.396 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.505 ' HE2' ' HG3' ' A' ' 34' ' ' GLU . 12.2 ptm -103.79 118.82 37.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.494 0.664 . . . . 0.0 111.477 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 150.11 22.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.991 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.08 120.35 40.08 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -126.85 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.531 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.43 HG22 ' HG2' ' A' ' 46' ' ' GLU . 28.9 m -116.22 104.68 11.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.842 177.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.11 135.07 34.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.671 0.272 . . . . 0.0 111.191 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 68.1 mm-40 -88.69 113.59 24.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.661 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.524 HG22 HG21 ' A' ' 45' ' ' VAL . 15.4 t -111.56 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.53 128.98 48.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.136 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 29.85 1.38 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.508 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.495 ' HE3' ' HB ' ' A' ' 11' ' ' VAL . 23.2 mmt -65.7 126.51 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.691 0.281 . . . . 0.0 110.577 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.623 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t -93.29 -77.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.431 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -142.88 -173.97 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.707 0.289 . . . . 0.0 111.127 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.25 -38.03 91.44 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 113.466 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.384 -0.48 . . . . 0.0 110.145 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.623 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 63.8 m -65.06 -26.88 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.431 178.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG22 HD23 ' A' ' 40' ' ' LEU . 59.3 t -62.73 -48.05 89.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.275 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -65.07 -42.09 94.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.928 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.32 -55.65 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.654 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 19' ' ' CYS . 9.8 tt -63.48 -37.58 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 120.633 0.254 . . . . 0.0 110.7 -177.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.47 -57.23 11.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 p -72.42 -30.05 64.28 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.786 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 59' ' ' ILE . 61.4 t -82.46 -45.05 19.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -42.56 98.11 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.929 -175.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.74 -21.79 66.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.638 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 HD12 ' A' ' 59' ' ' ILE . 18.2 mt -67.21 143.34 56.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.896 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.25 131.48 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.232 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.54 -11.65 54.02 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.869 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.417 HG23 HG21 ' A' ' 49' ' ' ILE . 66.1 t -85.48 121.79 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.505 ' HG3' ' HE2' ' A' ' 4' ' ' MET . 60.1 mm-40 -86.79 -68.96 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.612 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -132.9 138.68 47.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.844 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 47' ' ' VAL . 2.9 p -133.34 126.57 52.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -125.46 109.45 12.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.484 0.659 . . . . 0.0 110.297 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 45' ' ' VAL . 3.6 p -85.84 125.91 40.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.063 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -104.87 93.37 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.761 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD23 HG22 ' A' ' 20' ' ' VAL . 3.1 tm? -62.82 -36.82 84.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.109 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.25 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.347 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -105.74 -31.52 8.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.92 35.9 6.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.135 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -135.48 159.93 40.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.143 0.497 . . . . 0.0 111.677 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 38' ' ' VAL . 59.5 t -134.44 114.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.67 175.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HG2' HG22 ' A' ' 8' ' ' THR . 30.6 mt-10 -96.29 123.19 39.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.923 0.392 . . . . 0.0 109.95 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 36' ' ' VAL . 8.8 t -130.13 143.36 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.996 -174.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -102.18 107.3 18.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.417 HG21 HG23 ' A' ' 33' ' ' VAL . 31.1 pt -115.44 147.24 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 0.0 111.002 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -83.9 102.75 12.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 p -73.66 -4.29 33.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.486 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -85.28 -6.26 59.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.281 0.562 . . . . 0.0 109.497 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -127.15 -66.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.524 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -98.13 137.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.9 p -99.65 -175.96 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.231 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 mp -71.29 -44.29 65.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -52.47 -38.29 59.05 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.928 0.768 . . . . 0.0 111.56 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.93 -52.44 65.2 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.198 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 30' ' ' LEU . 25.4 mm -65.27 -48.45 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.218 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 56' ' ' LEU . 49.7 t -56.97 -54.71 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.085 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.99 95.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.809 -176.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.519 HG11 HD13 ' A' ' 30' ' ' LEU . 8.5 p -64.94 -31.85 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.578 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.518 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 67.4 mt -70.82 -55.86 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.087 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 50.4 mt-10 -59.26 -34.33 72.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.957 -173.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.34 -25.79 67.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.713 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.518 ' NE2' ' HA ' ' A' ' 63' ' ' ILE . 42.7 mt-30 -74.66 -9.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.761 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.55 35.93 1.66 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.97 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.487 ' OH ' ' HB3' ' A' ' 19' ' ' CYS . 76.3 m-85 -125.65 171.91 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.023 0.44 . . . . 0.0 110.618 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.35 121.43 21.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.487 174.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 25.3 t . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.799 0.333 . . . . 0.0 110.236 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.482 ' HE3' HG23 ' A' ' 48' ' ' THR . 85.9 mmm -76.83 119.39 20.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.676 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 48' ' ' THR . 61.9 mm-40 -105.1 111.17 23.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.657 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.79 104.01 16.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.8 mt -119.47 135.11 54.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.82 0.343 . . . . 0.0 111.328 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.0 m -105.01 104.94 14.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.038 173.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.42 127.19 38.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.554 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HA ' HG23 ' A' ' 44' ' ' THR . 26.2 pt20 -82.47 127.42 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.431 ' HB ' ' HE1' ' A' ' 14' ' ' MET . 42.5 t -104.0 105.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.362 -172.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -92.0 112.94 25.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.653 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 33.81 0.98 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.821 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.431 ' HE1' ' HB ' ' A' ' 11' ' ' VAL . 16.8 mmt -65.66 138.51 58.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.584 0.231 . . . . 0.0 110.57 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 48.2 t -88.47 -86.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.425 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -149.52 -74.38 0.17 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.809 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.28 -47.66 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.425 -0.893 . . . . 0.0 113.349 -177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -68.3 -15.76 63.69 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.104 0.478 . . . . 0.0 110.571 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.591 ' O ' HG21 ' A' ' 23' ' ' ILE . 7.2 p -62.55 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.461 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.744 HG13 ' HB ' ' A' ' 38' ' ' VAL . 75.1 t -63.84 -54.8 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.21 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -50.41 -49.36 54.87 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.799 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -63.23 1.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.587 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.628 HG23 HG21 ' A' ' 38' ' ' VAL . 9.8 tt -64.12 -37.59 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -174.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -54.68 -55.77 26.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.456 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 p -72.39 -30.34 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.485 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -53.51 -36.52 61.82 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.94 -47.02 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.131 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -63.55 -31.77 73.04 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.05 -25.34 65.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.034 0.445 . . . . 0.0 110.757 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.14 141.37 58.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.179 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.529 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 33.7 t30 -77.47 121.26 23.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.812 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.88 8.9 21.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.583 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -104.38 114.22 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-O 121.737 0.78 . . . . 0.0 110.033 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 48' ' ' THR . 8.3 tp10 -76.41 -48.9 18.2 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.424 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 3.9 pt20 -156.85 161.93 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.638 HG23 HG23 ' A' ' 47' ' ' VAL . 3.5 p -159.6 116.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 37' ' ' LYS . 3.2 mppt? -118.85 116.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.428 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.744 ' HB ' HG13 ' A' ' 20' ' ' VAL . 40.2 t -93.97 114.62 30.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.108 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.61 110.82 22.87 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.352 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.53 -39.9 80.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.359 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.991 0.425 . . . . 0.0 110.793 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -79.41 -34.29 41.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.058 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.61 21.42 66.58 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 10' ' ' GLN . 46.9 p -132.0 161.33 33.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.447 -0.377 . . . . 0.0 110.454 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.613 HG22 HG13 ' A' ' 38' ' ' VAL . 42.4 t -126.1 122.98 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -92.63 110.25 21.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.638 HG23 HG23 ' A' ' 36' ' ' VAL . 25.3 t -117.04 138.15 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.773 -176.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.482 HG23 ' HE3' ' A' ' 4' ' ' MET . 18.0 m -119.92 108.81 14.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.531 HG22 HG22 ' A' ' 33' ' ' VAL . 38.0 pt -115.95 170.86 5.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -103.14 106.29 16.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 52.0 p -72.3 -7.46 49.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.017 0.437 . . . . 0.0 111.079 -175.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -89.58 2.13 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.411 0.624 . . . . 0.0 109.802 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -126.95 -61.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.99 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 51' ' ' SER . 13.7 p -112.75 136.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -81.69 156.69 24.92 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.497 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' HG21 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -68.75 -31.87 71.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.849 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 4.2 tmtt? -68.4 -34.27 75.72 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' O ' HG22 ' A' ' 62' ' ' VAL . 2.9 m-20 -60.23 -43.89 95.66 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG13 HG23 ' A' ' 49' ' ' ILE . 46.3 mm -56.65 -53.78 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 43.1 t -61.31 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.169 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -47.94 80.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.428 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 94.2 t -59.78 -46.23 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.9 -48.2 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.955 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 46.0 mt-10 -63.44 -42.51 98.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.17 -26.95 69.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.1 mm100 -76.67 3.81 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.631 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.84 27.69 6.22 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.647 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 89.9 m-85 -124.08 164.45 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.664 -0.315 . . . . 0.0 110.231 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -129.74 115.31 17.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 121.049 0.452 . . . . 0.0 111.121 -174.283 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.645 ' HA ' ' HE1' ' A' ' 4' ' ' MET . 29.0 mmt -83.04 94.41 7.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 111.188 -177.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 118.08 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.375 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.24 106.08 18.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.482 HD22 ' HB3' ' A' ' 56' ' ' LEU . 10.8 mp -93.26 152.55 19.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.044 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.401 HG21 ' HG2' ' A' ' 46' ' ' GLU . 3.4 m -134.87 103.87 5.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.414 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 1.1 pp -114.75 145.1 42.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.603 0.24 . . . . 0.0 111.414 -176.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.405 ' HA ' HG22 ' A' ' 44' ' ' THR . 49.2 mt-30 -82.96 146.47 28.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.516 ' HA ' HG11 ' A' ' 70' ' ' VAL . 20.2 t -116.01 106.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -175.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 69' ' ' ASP . 12.2 tp10 -96.95 110.19 22.77 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.26 32.29 0.27 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.983 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.9 mmt -81.99 95.61 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 p -91.69 -31.29 15.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.765 0.317 . . . . 0.0 111.428 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 18' ' ' HIS . 14.2 p -161.53 179.2 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.7 -18.79 74.33 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.283 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.501 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 62.6 m170 -62.67 -27.71 69.42 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.556 0.217 . . . . 0.0 110.583 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.556 ' O ' HG21 ' A' ' 23' ' ' ILE . 65.7 m -56.95 -35.49 69.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG12 ' CG1' ' A' ' 38' ' ' VAL . 74.7 t -48.76 -61.3 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.344 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.79 -37.18 84.07 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.93 -58.21 9.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.815 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.556 HG21 ' O ' ' A' ' 19' ' ' CYS . 19.1 tt -69.96 -34.33 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.037 -177.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.494 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 5.4 tm-20 -56.71 -49.8 74.09 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 12.0 p -72.6 -30.77 64.64 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.679 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' HD21 ' A' ' 30' ' ' LEU . 62.3 m -56.25 -35.63 67.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.616 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 17.6 t -84.2 -44.83 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 173.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 4.4 tppp? -63.37 -36.25 83.08 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -173.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.37 -19.91 65.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.182 0.515 . . . . 0.0 110.81 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.649 HD23 HG22 ' A' ' 62' ' ' VAL . 3.7 mm? -69.52 123.34 21.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.127 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.477 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 32.2 t30 -65.43 114.64 4.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.212 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.1 -9.29 8.45 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.17 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.42 HG11 HG12 ' A' ' 27' ' ' VAL . 78.0 t -86.81 133.59 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -89.89 -67.4 0.85 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.016 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -133.79 145.93 50.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 HG21 ' A' ' 47' ' ' VAL . 20.1 t -127.06 100.29 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.663 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -98.38 94.05 6.53 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.058 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' CG1' HG12 ' A' ' 20' ' ' VAL . 3.3 p -80.95 119.94 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.393 0.616 . . . . 0.0 110.391 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.517 ' CB ' ' HB2' ' A' ' 42' ' ' GLU . 16.2 mm-40 -94.69 96.64 9.53 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.637 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.89 -48.83 80.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.951 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -33.78 61.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.838 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.517 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 27.7 mm-40 -81.81 -21.31 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.681 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.18 23.58 68.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.126 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.405 HG22 ' HA ' ' A' ' 10' ' ' GLN . 11.0 p -137.52 168.69 19.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG13 HG23 ' A' ' 47' ' ' VAL . 95.0 t -133.78 127.81 52.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.085 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG2' HG21 ' A' ' 8' ' ' THR . 39.5 mt-10 -108.18 114.99 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.904 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.589 HG21 HG13 ' A' ' 36' ' ' VAL . 48.7 t -127.7 132.52 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.755 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.4 m -95.21 112.66 24.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.41 HG21 HG21 ' A' ' 33' ' ' VAL . 30.5 pt -115.62 157.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.901 0.382 . . . . 0.0 110.923 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.447 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 45.2 t0 -93.66 96.56 9.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 t -73.64 -4.96 37.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 -174.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -83.56 -8.31 59.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.69 -69.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.224 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 14.0 p -95.16 144.42 9.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -101.06 161.18 13.78 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.104 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.482 ' HB3' HD22 ' A' ' 7' ' ' LEU . 3.6 pp -61.66 -30.78 70.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' N ' HD13 ' A' ' 56' ' ' LEU . 6.0 tmtt? -67.39 -42.88 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.239 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -53.14 -51.96 60.28 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.636 0.731 . . . . 0.0 109.653 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 63' ' ' ILE . 72.8 mt -63.14 -52.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.371 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.31 -40.37 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.819 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.23 80.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.649 HG22 HD23 ' A' ' 30' ' ' LEU . 95.1 t -67.23 -44.15 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.414 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 HG21 ' A' ' 27' ' ' VAL . 82.7 mt -60.01 -48.79 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.026 0.441 . . . . 0.0 111.414 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.62 -24.74 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.877 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.38 -20.1 64.67 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.161 0.505 . . . . 0.0 110.472 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -79.09 -21.21 47.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.897 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 35.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -127.17 156.05 42.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 11.9 m-20 -115.23 102.49 9.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.516 HG11 ' HA ' ' A' ' 11' ' ' VAL . 34.7 m . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.64 -171.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.743 0.306 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.633 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 51.8 mtt -87.83 121.71 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.147 0.499 . . . . 0.0 111.634 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -106.0 127.16 52.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.902 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -101.08 100.03 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.32 140.88 45.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -105.31 111.02 23.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.52 126.34 45.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.446 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' HA ' HG21 ' A' ' 44' ' ' THR . 0.6 OUTLIER -82.37 123.65 29.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.113 0.483 . . . . 0.0 109.993 176.1 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 p -122.82 131.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.771 -172.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.2 147.04 45.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.259 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.7 -14.99 9.78 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.514 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.518 ' HB2' ' CB ' ' A' ' 19' ' ' CYS . 25.0 ptt? -106.82 142.53 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 m -143.28 3.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -141.51 169.8 16.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 111.581 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.72 -25.76 73.96 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -56.84 -43.56 81.24 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.518 ' CB ' ' HB2' ' A' ' 14' ' ' MET . 61.0 m -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.381 176.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.591 HG13 HG13 ' A' ' 38' ' ' VAL . 96.5 t -48.47 -53.3 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.533 0.521 . . . . 0.0 111.015 177.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.68 -50.44 73.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -58.67 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.843 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.0 tt -64.26 -34.97 72.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.972 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.41 -52.64 63.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.313 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 50.2 m -72.53 -34.47 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.503 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -52.93 -40.17 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 47' ' ' VAL . 32.2 t -82.86 -41.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.227 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -71.6 -33.21 68.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.2 mt-10 -62.91 -31.04 72.02 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.196 0.522 . . . . 0.0 110.331 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.682 HD13 HG11 ' A' ' 62' ' ' VAL . 42.8 mt -55.51 138.01 47.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.651 -176.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.22 120.71 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.504 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.6 -1.55 24.79 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.647 HG23 HG21 ' A' ' 49' ' ' ILE . 78.0 t -101.46 125.21 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.482 0.658 . . . . 0.0 110.15 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.74 -64.25 1.18 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.737 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -138.83 144.89 39.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.916 0.389 . . . . 0.0 111.098 -175.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.768 HG23 HG13 ' A' ' 47' ' ' VAL . 65.0 t -133.84 119.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.991 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -125.89 96.15 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.834 0.826 . . . . 0.0 110.074 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 45' ' ' VAL . 3.6 p -84.3 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.246 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.3 112.78 22.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.92 0.39 . . . . 0.0 110.663 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HA ' ' HE1' ' A' ' 14' ' ' MET . 2.9 tm? -71.54 -34.74 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.625 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.98 87.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.663 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.32 -25.23 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.72 0.295 . . . . 0.0 111.66 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.0 40.35 30.39 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.104 -1.046 . . . . 0.0 110.941 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.465 HG21 ' HA ' ' A' ' 10' ' ' GLN . 14.3 p -134.58 146.86 50.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 0.0 110.883 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 38' ' ' VAL . 21.3 t -119.41 110.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.726 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -97.11 115.27 27.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.768 HG13 HG23 ' A' ' 36' ' ' VAL . 39.1 t -120.21 143.24 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.021 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.6 m -112.07 107.29 16.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.908 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.647 HG21 HG23 ' A' ' 33' ' ' VAL . 34.2 pt -115.84 163.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.036 -176.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -95.86 109.51 21.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 170.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.7 p -74.9 -0.48 18.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.66 -173.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -89.92 -11.37 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 109.98 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.62 -68.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.609 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -100.13 144.13 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.0 p -109.09 173.73 6.19 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.108 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.55 -36.17 82.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.644 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -58.3 -42.42 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.195 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.49 -42.08 95.58 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.006 0.432 . . . . 0.0 110.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.477 HD11 HG12 ' A' ' 27' ' ' VAL . 48.1 mm -66.87 -46.48 85.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.35 -47.57 92.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.26 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.388 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 30' ' ' LEU . 15.0 p -65.28 -42.58 94.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.586 0.232 . . . . 0.0 111.323 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.97 -49.77 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.375 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 22.5 mt-10 -72.89 -25.83 61.22 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.842 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.87 -32.02 73.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.1 mm100 -71.05 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.36 9.41 21.78 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.907 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 61.3 m-85 -96.07 156.35 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.01 0.405 . . . . 0.0 111.371 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.64 112.28 24.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.849 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 11' ' ' VAL . 14.2 m . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.576 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.3 ptp -97.84 143.92 27.96 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.138 0.495 . . . . 0.0 111.669 -173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.99 125.1 50.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.389 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 48' ' ' THR . 75.0 mt-30 -105.62 100.4 9.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.07 142.33 49.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 44' ' ' THR . 29.1 m -105.8 104.7 14.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.682 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.78 140.05 39.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.61 -175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.688 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 42.9 mt-30 -83.68 127.52 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.749 HG21 HG22 ' A' ' 45' ' ' VAL . 38.8 t -119.28 114.55 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.894 0.378 . . . . 0.0 111.672 -173.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 54.9 mt-10 -111.41 134.88 52.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.29 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.58 20.28 3.93 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.274 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.612 ' HE1' ' HB ' ' A' ' 11' ' ' VAL . 64.3 mtt -77.2 157.95 30.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.631 0.253 . . . . 0.0 110.446 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 t -124.86 -73.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.389 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.02 -163.35 1.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.99 -29.94 69.01 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.628 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -62.87 -40.0 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 21.4 p -66.76 -23.42 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.411 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.91 -55.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.16 -28.69 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.488 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.07 61.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 19' ' ' CYS . 12.6 tt -69.24 -33.82 59.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.45 -52.4 59.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.49 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 6.3 p -72.47 -32.48 66.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.463 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' HD22 ' A' ' 30' ' ' LEU . 66.6 m -55.44 -34.99 64.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.76 0.314 . . . . 0.0 110.38 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.554 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 27.3 t -83.64 -43.01 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.586 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -65.02 -40.11 94.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.314 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.8 -24.87 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.522 . . . . 0.0 110.663 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 2.2 mm? -64.39 130.01 42.13 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.067 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -71.58 132.0 44.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.04 -2.21 44.35 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.964 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.453 HG13 HG11 ' A' ' 27' ' ' VAL . 80.5 t -95.47 124.71 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 121.294 0.569 . . . . 0.0 110.671 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 6.8 tp10 -91.16 -63.39 1.27 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.462 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.543 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 86.1 mt-30 -122.35 142.23 50.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.77 0.319 . . . . 0.0 111.463 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -133.77 103.41 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.709 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 37.1 ttpt -110.19 96.12 6.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 45' ' ' VAL . 59.8 t -77.06 117.16 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.997 0.427 . . . . 0.0 110.01 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.18 95.15 6.62 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 40' ' ' LEU . 3.1 tm? -69.02 -32.54 72.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.882 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.99 -15.32 63.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.831 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -118.3 -30.53 5.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.745 0.307 . . . . 0.0 111.159 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.97 39.58 8.52 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.506 ' HB ' HG23 ' A' ' 8' ' ' THR . 69.5 p -138.61 166.14 25.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.749 HG22 HG21 ' A' ' 11' ' ' VAL . 72.3 t -134.28 116.79 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.222 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 37' ' ' LYS . 33.3 tt0 -86.28 112.78 21.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.628 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 49' ' ' ILE . 42.1 t -120.71 130.22 74.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 111.364 -176.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 6' ' ' GLN . 33.0 m -109.33 120.98 44.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.516 HG22 HG13 ' A' ' 47' ' ' VAL . 42.8 pt -124.91 163.0 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.84 100.16 12.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 166.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -77.43 9.57 3.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.972 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -98.19 -3.81 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.21 -64.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.06 148.94 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.934 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -99.62 159.88 14.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.16 -34.91 79.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 3.2 tmtp? -61.19 -40.27 93.28 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.815 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -53.52 -51.69 62.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.472 0.653 . . . . 0.0 110.353 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 63' ' ' ILE . 68.2 mt -65.79 -43.98 93.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.922 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 HG22 ' A' ' 70' ' ' VAL . 79.6 t -55.72 -47.29 79.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -47.17 78.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.465 HG21 HD21 ' A' ' 30' ' ' LEU . 86.6 t -65.12 -44.17 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.4 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.702 HG22 HG11 ' A' ' 70' ' ' VAL . 70.6 mt -62.77 -47.47 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.734 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 41.7 mt-10 -64.41 -30.88 71.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.717 0.294 . . . . 0.0 110.59 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.13 -18.22 64.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.5 -2.5 53.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.36 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.32 44.27 3.03 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.832 177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.565 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 66.0 m-85 -132.18 149.66 52.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.08 0.467 . . . . 0.0 111.362 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.511 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 20.0 m-20 -100.3 101.78 12.87 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.702 HG11 HG22 ' A' ' 63' ' ' ILE . 31.4 m . . . . . 0 C--N 1.321 -0.663 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.935 -176.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.22 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.4 ptp -90.71 144.0 26.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.562 0.696 . . . . 0.0 112.399 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -123.98 136.67 54.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.618 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -108.17 117.3 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.886 0.374 . . . . 0.0 110.103 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 tp -133.73 142.52 48.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.829 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -100.1 107.49 19.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.783 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.54 142.17 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.761 HE22 ' HG2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -96.4 144.8 26.21 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.403 ' HB ' ' HE2' ' A' ' 14' ' ' MET . 19.1 t -122.63 108.68 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.761 ' HG2' HE22 ' A' ' 10' ' ' GLN . 12.3 mm-40 -96.67 115.22 27.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 111.148 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.09 39.45 1.05 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.939 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 14.4 mmt -56.48 116.47 3.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.274 0.559 . . . . 0.0 111.411 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.471 ' H ' ' HB3' ' A' ' 19' ' ' CYS . 4.9 m -90.73 67.43 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.923 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m 55.63 -117.49 1.14 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.988 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.26 -2.25 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -73.24 -47.17 45.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.397 0.618 . . . . 0.0 110.18 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.538 ' O ' HG21 ' A' ' 23' ' ' ILE . 6.9 p -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.748 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.4 t -51.49 -63.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.229 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -72.17 -33.82 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.779 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.35 65.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.66 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.538 HG21 ' O ' ' A' ' 19' ' ' CYS . 18.3 tt -77.12 -34.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -56.64 -45.18 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.5 m -73.1 -42.14 63.3 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.492 ' OG ' ' HA ' ' A' ' 23' ' ' ILE . 32.8 p -59.48 -29.25 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.525 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HG13 ' A' ' 33' ' ' VAL . 60.7 t -82.34 -49.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.67 172.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.761 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.51 -40.13 96.24 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.32 -26.95 67.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.74 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -61.85 129.86 42.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.348 178.357 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.548 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 43.4 t30 -65.83 129.58 40.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.966 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.06 43.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.409 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.599 HG23 HG21 ' A' ' 49' ' ' ILE . 70.9 t -81.24 118.72 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.347 0.594 . . . . 0.0 110.779 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.73 -51.16 8.98 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.483 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 28.1 pt20 -150.24 153.46 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.661 0.267 . . . . 0.0 110.649 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG13 ' HB2' ' A' ' 28' ' ' LYS . 5.0 p -146.15 128.18 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.657 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -128.86 108.18 10.23 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG23 HG23 ' A' ' 45' ' ' VAL . 7.4 p -84.4 131.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.303 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -108.79 116.12 31.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -80.75 -38.6 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.07 61.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.146 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.02 -29.01 55.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.816 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.06 33.98 22.28 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.759 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 10' ' ' GLN . 16.9 p -132.95 162.9 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.549 0.214 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.493 HG23 HG23 ' A' ' 38' ' ' VAL . 44.1 t -132.27 124.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.33 114.11 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 49' ' ' ILE . 44.4 t -124.21 140.93 46.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.139 0.495 . . . . 0.0 111.406 -175.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.53 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 31.4 m -122.14 121.0 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 171.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.1 pt -126.73 156.79 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 111.871 -175.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.54 103.19 14.83 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.4 p -73.18 -4.72 34.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.282 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -90.12 1.98 55.79 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.0 t -127.4 -64.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.422 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.548 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 12.4 p -110.05 152.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.09 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -102.63 164.59 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.6 mm? -68.01 -39.38 83.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -36.89 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.357 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 62' ' ' VAL . 10.6 m-20 -60.46 -42.37 96.07 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.556 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 49' ' ' ILE . 68.4 mt -66.96 -47.15 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.307 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 91.6 t -55.73 -45.01 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -45.7 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.127 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -63.95 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.953 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 59' ' ' ILE . 80.3 mt -62.34 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.391 . . . . 0.0 110.735 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.9 mt-10 -65.95 -30.4 70.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.87 -21.94 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.274 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.607 ' HB2' ' HD2' ' A' ' 68' ' ' TYR . 35.7 mt-30 -81.59 -6.75 59.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.36 30.52 6.55 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.322 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.607 ' HD2' ' HB2' ' A' ' 66' ' ' GLN . 97.3 m-85 -118.13 154.61 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 27.6 t70 -111.03 117.67 33.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.76 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 -176.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.477 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.866 0.365 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.687 ' HA ' ' HE3' ' A' ' 4' ' ' MET . 16.9 mmt -86.21 104.86 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.409 -174.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HB2' ' CG1' ' A' ' 49' ' ' ILE . 9.9 mm-40 -101.54 107.24 18.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.951 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.04 0.448 . . . . 0.0 110.112 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -123.87 140.18 53.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.494 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -99.93 104.51 16.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.869 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 45' ' ' VAL . 4.6 mp -91.32 168.08 11.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -117.76 145.67 44.32 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.536 ' HB ' ' HE2' ' A' ' 14' ' ' MET . 10.9 t -106.06 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.653 -175.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -97.54 108.47 21.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.24 -98.96 0.27 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.536 ' HE2' ' HB ' ' A' ' 11' ' ' VAL . 50.8 mtt 61.15 -176.05 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.507 0.67 . . . . 0.0 112.536 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 t -151.01 -73.84 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.685 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.3 t -152.66 -74.36 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.553 0.216 . . . . 0.0 111.269 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.15 -45.47 0.21 Allowed Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.19 -176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -54.49 -36.47 64.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.004 0.43 . . . . 0.0 111.167 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.546 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.5 p -60.68 -28.55 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.252 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.13 -53.21 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.95 -37.97 87.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.233 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -56.3 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.585 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 19' ' ' CYS . 6.9 tp -65.78 -35.29 74.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 110.737 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.78 -55.69 24.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 16.4 p -71.1 -29.88 65.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.963 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 63' ' ' ILE . 41.5 t -53.56 -38.13 63.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.607 HG12 HG13 ' A' ' 47' ' ' VAL . 22.9 t -85.28 -47.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 172.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.601 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.2 tptt -61.94 -30.7 71.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.12 -19.82 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.23 0.538 . . . . 0.0 110.912 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 59' ' ' ILE . 4.4 mm? -69.27 127.45 33.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.976 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.56 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 64.2 t30 -68.48 112.83 5.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.617 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.34 -9.95 7.76 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.147 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.492 HG23 HG21 ' A' ' 49' ' ' ILE . 81.1 t -87.72 127.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.24 0.543 . . . . 0.0 111.487 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.44 -66.24 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.763 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.93 152.3 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.481 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.416 HG13 HG23 ' A' ' 47' ' ' VAL . 45.8 t -133.43 118.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.947 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -118.88 99.2 6.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.752 0.31 . . . . 0.0 110.299 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 23' ' ' ILE . 3.5 p -84.36 119.33 33.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.577 0.703 . . . . 0.0 110.006 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.552 ' HB3' ' HB2' ' A' ' 42' ' ' GLU . 1.7 mm-40 -88.61 108.15 19.29 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.491 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.1 tm? -76.07 -28.83 57.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.118 0.485 . . . . 0.0 109.88 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.27 -35.33 55.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.927 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . 43.0 mt-10 -89.57 -32.98 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.444 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.62 33.26 13.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.567 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -133.69 177.98 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.885 0.374 . . . . 0.0 111.564 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.829 HG21 ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -139.53 107.62 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.917 -178.677 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -90.86 108.56 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.607 HG13 HG12 ' A' ' 27' ' ' VAL . 45.1 t -124.62 140.53 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -173.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -109.42 115.57 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.492 HG21 HG23 ' A' ' 33' ' ' VAL . 27.7 pt -115.49 161.56 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 111.178 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 60.3 t0 -101.27 103.82 14.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 29.2 t -78.44 2.4 18.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.9 m -89.84 -1.69 58.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 0.0 109.772 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.49 -58.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 13.5 p -114.87 146.17 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 p -107.38 164.85 11.84 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' HG21 ' A' ' 60' ' ' VAL . 55.2 tp -61.37 -40.21 93.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.335 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -62.24 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.229 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.56 -51.99 66.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.871 0.844 . . . . 0.0 109.448 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.595 HG12 ' HG ' ' A' ' 30' ' ' LEU . 60.1 mt -62.86 -48.4 88.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.56 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 70' ' ' VAL . 72.1 t -55.76 -44.56 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.887 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.91 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 61.9 t -73.02 -41.42 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 27' ' ' VAL . 71.0 mt -60.9 -49.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.613 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.1 mt-10 -66.43 -26.51 67.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.534 -177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.59 -24.69 66.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.332 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 79.3 mm-40 -84.19 -4.41 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.782 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.21 41.91 3.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.913 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 52.7 m-85 -136.7 139.96 42.33 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -100.61 94.4 6.09 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 60' ' ' VAL . 35.9 m . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.915 -172.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.868 0.366 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 81.9 mtp -83.41 134.74 34.87 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -130.4 147.6 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.312 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.809 ' HA ' HE21 ' A' ' 6' ' ' GLN . 0.0 OUTLIER -99.97 115.59 30.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.059 175.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -123.99 157.35 34.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.99 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.436 HG23 ' HB ' ' A' ' 44' ' ' THR . 12.3 m -128.01 105.44 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.958 0.409 . . . . 0.0 110.367 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD21 HG13 ' A' ' 70' ' ' VAL . 11.0 mp -82.95 143.62 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 69.5 mt-30 -95.51 133.41 39.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.437 ' HB ' ' HE1' ' A' ' 14' ' ' MET . 9.0 t -115.9 100.55 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.412 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.956 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 16.7 mm-40 -91.94 120.35 32.52 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.5 53.78 0.59 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.063 -177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.437 ' HE1' ' HB ' ' A' ' 11' ' ' VAL . 24.8 mtt -97.8 -85.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.545 0.212 . . . . 0.0 111.388 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t 67.63 -75.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.65 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.9 m -92.51 152.77 19.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 0.0 111.62 -173.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -71.82 -21.58 78.92 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.949 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -64.8 -32.65 74.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.811 0.305 . . . . 0.0 110.253 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' ' 23' ' ' ILE . 46.9 m -61.42 -41.91 97.9 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.102 0.477 . . . . 0.0 109.805 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 91.4 t -54.37 -51.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.416 176.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -63.37 -41.27 98.8 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.63 -56.69 18.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -64.23 -34.5 69.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.916 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -54.88 -53.73 51.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.917 0.389 . . . . 0.0 110.262 176.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.53 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.8 m -72.45 -30.65 64.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.205 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -56.6 -31.3 64.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.962 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.422 HG21 HD11 ' A' ' 63' ' ' ILE . 26.3 t -82.93 -53.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 171.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 21.2 ttmm -58.35 -39.95 80.9 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.3 -17.42 64.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.405 -176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.51 HD12 HD13 ' A' ' 59' ' ' ILE . 32.2 mt -74.76 165.08 25.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.643 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.459 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 27.9 t-20 -95.68 137.99 33.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.257 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.16 8.96 58.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.514 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 HG13 HG13 ' A' ' 27' ' ' VAL . 73.3 t -106.09 127.81 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 CA-C-O 121.246 0.545 . . . . 0.0 109.772 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.809 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 8.4 tp10 -96.41 -58.28 2.1 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.059 -177.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.809 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 97.2 mt-30 -138.63 154.85 48.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.453 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -147.22 107.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.328 0.585 . . . . 0.0 110.755 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -108.22 94.94 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 HG21 ' A' ' 45' ' ' VAL . 2.1 p -86.34 127.14 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.693 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -115.77 114.26 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.413 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.401 HD23 ' SD ' ' A' ' 14' ' ' MET . 0.7 OUTLIER -65.65 -46.99 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.48 . . . . 0.0 110.304 -176.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.28 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.797 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -79.38 -32.14 42.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.222 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.36 66.14 Favored Glycine 0 CA--C 1.506 -0.503 0 C-N-CA 120.153 -1.022 . . . . 0.0 110.98 -172.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' HB ' HG23 ' A' ' 8' ' ' THR . 40.3 p -141.99 166.51 24.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 -176.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.529 HG21 HG23 ' A' ' 38' ' ' VAL . 40.8 t -129.45 118.64 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.928 175.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -85.26 105.13 15.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 49' ' ' ILE . 17.3 t -109.7 139.85 31.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.35 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -109.87 103.24 12.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.091 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.502 HG22 HG13 ' A' ' 47' ' ' VAL . 42.8 pt -115.08 168.77 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -108.57 106.44 16.52 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 p -76.49 -4.04 40.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -170.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.4 m -90.66 2.87 55.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.349 0.595 . . . . 0.0 109.955 173.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.7 t -125.41 -65.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.519 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 10.4 p -109.32 141.19 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.5 p -100.15 161.17 13.78 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.556 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.35 -32.58 70.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 2.8 tmtp? -64.22 -43.53 94.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.783 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.98 -44.95 96.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.069 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.51 HD13 HD12 ' A' ' 30' ' ' LEU . 43.9 mm -57.89 -56.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.081 176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.57 HG13 ' HG3' ' A' ' 64' ' ' GLU . 4.4 t -55.98 -42.05 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.552 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.38 75.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.711 0.291 . . . . 0.0 111.29 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -77.47 -50.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.232 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.527 ' CG2' HG23 ' A' ' 70' ' ' VAL . 1.4 mp -61.01 -46.18 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.987 -175.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.57 ' HG3' HG13 ' A' ' 60' ' ' VAL . 14.7 mt-10 -69.67 -28.83 66.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.382 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.69 -27.9 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.246 0.545 . . . . 0.0 110.448 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -76.37 2.59 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.147 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 31.31 8.15 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.557 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -119.96 145.85 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.719 0.295 . . . . 0.0 110.22 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.956 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 33.7 t70 -98.31 109.07 21.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.527 HG23 ' CG2' ' A' ' 63' ' ' ILE . 26.3 t . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.708 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.687 0.28 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.3 mmt -82.39 117.04 22.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -112.97 127.55 56.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.134 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.581 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 38.3 mt-30 -111.72 131.95 54.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.46 138.42 36.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -107.99 104.73 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -100.71 144.76 29.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -177.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.61 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 91.8 mt-30 -85.49 132.8 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.844 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.625 HG22 HG21 ' A' ' 45' ' ' VAL . 25.3 t -118.73 122.65 69.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 112.129 -172.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.92 138.7 52.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.76 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.41 -5.78 5.94 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.951 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.491 ' SD ' HD21 ' A' ' 40' ' ' LEU . 64.4 mtt -63.94 107.92 1.36 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 110.088 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 m -107.54 -35.26 6.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.15 -177.47 5.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.439 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.551 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -64.23 -36.11 92.81 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.745 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -63.11 -20.73 65.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.848 0.324 . . . . 0.0 111.79 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' ILE . 78.7 m -60.97 -35.88 77.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.856 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.623 ' HB ' HD23 ' A' ' 40' ' ' LEU . 3.4 p -65.6 -42.82 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.057 0.456 . . . . 0.0 109.954 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -70.02 -43.13 71.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.175 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB1' ' HH ' ' A' ' 68' ' ' TYR . . . -59.14 -51.96 67.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.438 -178.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG21 ' O ' ' A' ' 19' ' ' CYS . 12.2 tt -68.34 -34.78 67.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.731 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.27 -48.94 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -71.47 -31.41 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.119 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -53.81 -37.11 63.21 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG22 HD12 ' A' ' 63' ' ' ILE . 18.9 t -83.53 -55.66 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.931 173.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.27 -30.75 71.34 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -169.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.08 -14.77 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.991 0.424 . . . . 0.0 111.258 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD13 HD13 ' A' ' 59' ' ' ILE . 26.3 mt -79.11 137.16 37.37 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.758 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.11 121.42 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 7.38 17.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.777 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG21 HG22 ' A' ' 49' ' ' ILE . 76.2 t -103.87 114.58 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.577 0.703 . . . . 0.0 109.465 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.7 tp10 -82.44 -56.27 3.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.343 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.491 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 49.1 mt-30 -139.17 157.02 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.673 HG21 HG22 ' A' ' 47' ' ' VAL . 3.3 p -164.3 117.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.196 0.522 . . . . 0.0 110.815 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -118.93 112.93 20.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.3 0.571 . . . . 0.0 110.538 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 45' ' ' VAL . 2.1 p -90.05 125.05 42.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.518 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.54 99.06 10.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.956 -177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.623 HD23 ' HB ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -63.87 -43.77 95.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 109.85 -178.451 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.59 72.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.025 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -91.15 -33.14 15.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.084 0.468 . . . . 0.0 111.132 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.67 26.67 37.72 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.567 -175.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 10' ' ' GLN . 9.4 p -136.26 163.33 30.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.655 0.264 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.625 HG21 HG22 ' A' ' 11' ' ' VAL . 48.2 t -134.19 126.98 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -101.63 115.64 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.673 HG22 HG21 ' A' ' 36' ' ' VAL . 21.8 t -116.44 142.04 31.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.419 -174.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 m -114.57 104.83 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.527 HG21 HG12 ' A' ' 47' ' ' VAL . 42.1 pt -115.45 166.52 9.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.085 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 12.1 t0 -103.63 103.07 12.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 p -72.34 -8.9 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.921 0.391 . . . . 0.0 111.449 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -87.6 -8.68 55.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.462 0.648 . . . . 0.0 109.91 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.0 t -112.47 -64.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.236 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.97 148.68 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.5 p -92.45 158.95 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.201 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.45 -34.97 77.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -64.06 -38.98 93.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -55.13 -49.67 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.066 0.46 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.554 HD13 HD13 ' A' ' 30' ' ' LEU . 43.9 mm -55.93 -56.34 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.46 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.453 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -50.12 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.654 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 93.4 t -65.1 -43.71 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.239 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.602 HD12 HG22 ' A' ' 27' ' ' VAL . 78.5 mt -59.08 -51.06 77.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 111.09 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.15 -25.12 60.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.83 -28.56 69.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.005 0.431 . . . . 0.0 110.316 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 12.6 mm100 -75.29 -15.18 60.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 178.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.08 30.58 3.37 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.711 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.434 ' HH ' ' HB1' ' A' ' 22' ' ' ALA . 83.4 m-85 -113.97 159.49 19.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.282 . . . . 0.0 110.515 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -116.73 109.97 17.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 172.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 16.0 m . . . . . 0 C--N 1.321 -0.672 0 CA-C-O 121.431 0.634 . . . . 0.0 111.861 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.446 ' HE2' HG22 ' A' ' 48' ' ' THR . 81.7 mmm -85.34 117.67 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.002 0.43 . . . . 0.0 111.098 -171.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -112.22 108.15 17.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -100.61 103.48 14.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -124.5 156.31 37.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.5 -174.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -110.13 124.52 51.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.188 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.03 144.48 44.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.376 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HA ' HG21 ' A' ' 44' ' ' THR . 28.3 pt20 -85.45 141.02 30.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.339 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.591 ' HB ' ' HE2' ' A' ' 14' ' ' MET . 14.5 t -127.31 115.54 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.727 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.723 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 80.8 mm-40 -104.97 135.86 45.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.88 -24.87 8.18 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.414 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.591 ' HE2' ' HB ' ' A' ' 11' ' ' VAL . 25.4 ptt? -92.23 138.15 31.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.487 0.644 . . . . 0.0 111.294 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 p -147.66 -1.04 0.62 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.615 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -124.04 169.83 11.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.828 0.347 . . . . 0.0 111.66 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.4 93.46 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.647 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -58.51 -32.59 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.636 0.255 . . . . 0.0 110.942 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 23' ' ' ILE . 57.1 m -59.09 -46.92 87.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 ' HB ' ' A' ' 38' ' ' VAL . 51.3 t -54.93 -54.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -61.46 -37.38 83.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.95 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.591 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 38' ' ' VAL . 10.3 tt -77.95 -34.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.224 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.96 -50.38 70.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.892 0.377 . . . . 0.0 110.102 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.3 p -72.7 -30.11 63.95 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.107 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -53.83 -34.2 58.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.672 HG11 HG13 ' A' ' 33' ' ' VAL . 20.4 t -83.27 -51.14 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.934 173.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 18.5 tppt? -64.22 -30.81 71.85 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.89 -29.94 67.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.818 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD12 HD12 ' A' ' 59' ' ' ILE . 44.2 mt -77.16 151.83 35.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.044 -178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.55 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.9 m120 -87.22 127.73 35.16 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.63 12.05 23.67 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.672 HG13 HG11 ' A' ' 27' ' ' VAL . 54.9 t -106.42 114.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.26 0.552 . . . . 0.0 111.309 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.74 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 10.9 tp10 -87.92 -65.65 0.99 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.627 -178.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.74 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 81.4 mt-30 -122.17 141.86 51.01 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.054 -176.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.46 102.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.543 0.687 . . . . 0.0 110.135 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -109.3 100.18 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.639 ' HB ' HG13 ' A' ' 20' ' ' VAL . 57.8 t -82.22 115.49 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.95 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 14.5 mm-40 -95.99 98.42 10.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.978 0.418 . . . . 0.0 110.367 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.7 -39.67 94.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.798 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.28 71.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.702 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -97.62 -26.9 14.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.682 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.27 21.05 59.38 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.475 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.47 HG21 ' HA ' ' A' ' 10' ' ' GLN . 34.3 p -133.8 161.83 33.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.587 HG23 HG22 ' A' ' 11' ' ' VAL . 57.3 t -131.16 131.8 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.351 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -100.86 118.08 36.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 49' ' ' ILE . 61.6 t -122.31 133.42 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.446 HG22 ' HE2' ' A' ' 4' ' ' MET . 13.8 m -110.2 111.07 22.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.532 HG22 HG13 ' A' ' 47' ' ' VAL . 26.3 pt -114.59 168.34 6.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 0.0 111.288 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -101.59 101.64 12.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.356 168.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.6 t -75.94 0.13 19.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.139 -174.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -84.98 -9.22 58.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.341 0.591 . . . . 0.0 109.736 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.9 -67.72 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.504 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.7 p -100.2 150.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.326 -177.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -98.11 165.14 12.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.22 -32.93 72.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.856 0.36 . . . . 0.0 110.153 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -63.31 -40.22 96.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -54.78 -49.87 69.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.114 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.605 HD13 HG13 ' A' ' 27' ' ' VAL . 44.1 mm -54.46 -57.46 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.746 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.71 -45.33 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.369 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.11 80.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.514 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.409 HG23 HD23 ' A' ' 30' ' ' LEU . 87.3 t -68.02 -37.92 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.819 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.6 mt -60.79 -47.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.9 -28.32 68.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.714 0.292 . . . . 0.0 110.769 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.52 -23.78 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.244 0.545 . . . . 0.0 110.651 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.62 -14.49 59.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.212 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.47 37.42 1.93 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.109 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -125.63 154.31 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 110.405 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.723 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 32.7 t70 -106.86 109.16 20.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 C--N 1.322 -0.594 0 CA-C-O 121.158 0.504 . . . . 0.0 110.406 -177.364 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.436 ' HA ' ' OD2' ' A' ' 50' ' ' ASP . 48.7 m . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.597 0.236 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -80.67 -53.1 6.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.27 96.31 3.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.615 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 8.1 ptp -94.86 124.63 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.519 0.676 . . . . 0.0 112.104 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.09 135.71 49.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.808 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -91.63 105.77 17.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.53 135.54 53.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -112.72 114.07 26.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.402 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' N ' HD11 ' A' ' 9' ' ' LEU . 6.5 mp -99.19 128.37 45.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.476 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -80.65 133.44 35.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.703 HG22 HG23 ' A' ' 45' ' ' VAL . 12.3 t -121.21 118.26 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.668 -168.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 12.9 mm-40 -104.99 108.41 19.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.59 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -6.31 1.0 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.305 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.434 ' SD ' HG21 ' A' ' 23' ' ' ILE . 61.4 mtm -93.63 90.27 6.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.282 0.541 . . . . 0.0 110.506 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -101.15 -14.95 17.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.656 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -125.08 162.5 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.989 0.423 . . . . 0.0 111.797 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.6 -33.47 67.25 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.694 -0.685 . . . . 0.0 113.226 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -65.02 -22.57 67.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.283 0.542 . . . . 0.0 110.671 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.534 ' O ' HG23 ' A' ' 23' ' ' ILE . 60.8 m -63.96 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.161 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -50.29 -60.89 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.929 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.03 -40.56 94.05 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.991 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.62 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.187 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.534 HG23 ' O ' ' A' ' 19' ' ' CYS . 13.8 tt -67.65 -37.92 79.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 11.6 pt-20 -61.05 -42.54 98.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.85 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 37.4 m -73.07 -34.93 66.53 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.185 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 m -53.64 -36.75 62.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.99 0.424 . . . . 0.0 110.087 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 59' ' ' ILE . 19.1 t -82.81 -49.26 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.375 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 4.2 tmtt? -58.15 -41.94 84.82 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 25' ' ' SER . 54.1 mt-10 -63.01 -24.42 67.91 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.942 0.401 . . . . 0.0 110.886 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.07 120.52 15.04 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 125.78 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 0.0 110.698 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.09 -22.07 9.9 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.0 t -80.53 130.88 35.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.03 0.443 . . . . 0.0 110.013 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -91.56 -68.73 0.78 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.508 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -136.88 149.8 47.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.706 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.566 HG13 HG12 ' A' ' 47' ' ' VAL . 33.6 m -127.69 132.26 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 110.334 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 84.8 mttt -114.33 92.91 4.12 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 p -87.82 111.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.409 0.623 . . . . 0.0 110.013 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -100.6 94.08 5.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.736 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.19 -48.95 77.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.951 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.36 62.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.958 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.79 -25.56 18.09 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.244 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 27.76 50.99 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.755 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.4 p -136.17 149.06 48.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.024 0.44 . . . . 0.0 111.699 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.703 HG23 HG22 ' A' ' 11' ' ' VAL . 60.9 t -123.71 112.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.785 174.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 37.5 tt0 -93.36 109.64 21.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.644 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.566 HG12 HG13 ' A' ' 36' ' ' VAL . 27.0 t -116.74 135.0 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.873 0.368 . . . . 0.0 111.501 -174.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 4' ' ' MET . 7.6 m -96.83 110.12 22.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.4 pt -115.74 146.94 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.901 0.381 . . . . 0.0 111.724 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' OD2' ' HA ' ' A' ' 1' ' ' SER . 62.8 t0 -87.44 102.55 14.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 t -75.62 0.97 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.552 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.5 t -91.52 1.04 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.256 0.55 . . . . 0.0 109.78 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.0 t -131.48 -62.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.584 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.03 146.83 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.728 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.441 ' O ' HG12 ' A' ' 59' ' ' ILE . 21.8 p -97.32 168.91 10.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.748 0.309 . . . . 0.0 110.583 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.81 -37.14 73.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -64.43 -42.85 95.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.315 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.2 -47.69 68.7 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 27' ' ' VAL . 46.0 mm -56.17 -55.69 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.522 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 70' ' ' VAL . 88.3 t -60.27 -49.38 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -48.14 74.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.73 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 96.7 t -66.57 -44.45 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.908 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 59' ' ' ILE . 62.6 mt -58.46 -48.78 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.281 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.584 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 31.3 mt-10 -68.02 -33.17 74.1 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.993 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.82 -31.66 72.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.059 0.456 . . . . 0.0 110.189 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 15.1 mm100 -74.58 -8.83 57.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.946 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.58 36.8 2.74 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.388 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 53.5 m-85 -128.52 148.71 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.965 0.383 . . . . 0.0 110.476 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.5 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 24.8 t70 -105.29 112.91 26.2 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' A' ' 11' ' ' VAL . 16.0 m -124.2 143.23 38.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.972 0.415 . . . . 0.0 111.239 -175.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.606 -0.711 . . . . 0.0 111.108 -176.003 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.77 0.319 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -115.94 -53.28 2.57 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.96 91.13 2.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.771 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.596 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.8 ptm -90.17 128.42 36.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.636 0.732 . . . . 0.0 111.838 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 48' ' ' THR . 51.4 mm-40 -110.41 149.51 30.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -123.44 97.86 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.017 0.436 . . . . 0.0 110.296 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.612 HD23 HD12 ' A' ' 56' ' ' LEU . 50.9 tp -100.44 128.99 46.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.629 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -109.03 104.78 14.06 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.94 142.44 39.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 0.0 111.296 -176.221 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.635 ' HA ' HG23 ' A' ' 44' ' ' THR . 46.2 mt-30 -81.33 138.46 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.109 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.795 HG21 HG21 ' A' ' 45' ' ' VAL . 56.9 t -113.15 115.57 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.946 0.403 . . . . 0.0 111.747 -173.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -96.63 109.92 22.45 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.24 -106.33 0.29 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.243 -0.503 . . . . 0.0 111.887 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.9 mmt 61.49 178.29 0.12 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.365 0.666 . . . . 0.0 112.376 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -174.34 -52.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.494 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -149.29 -169.49 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.354 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.72 -13.03 83.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.647 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -64.85 -50.48 66.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.569 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 25.4 p -64.64 -24.12 67.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.11 -49.14 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -68.74 -33.25 73.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.915 0.388 . . . . 0.0 110.255 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.33 -57.9 10.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.388 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.557 HG23 HG23 ' A' ' 38' ' ' VAL . 12.8 tt -63.75 -33.9 64.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.975 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.07 -53.63 40.02 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.615 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 24.7 m -71.81 -31.74 66.87 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.535 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -53.82 -37.77 63.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.961 0.41 . . . . 0.0 110.001 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.52 HG13 HG11 ' A' ' 47' ' ' VAL . 19.4 t -83.21 -48.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.511 172.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.615 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 29.0 tptp -59.14 -37.78 78.08 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.47 -25.43 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.055 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.323 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.69 124.77 24.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.013 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.13 -15.47 33.26 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.918 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 49' ' ' ILE . 87.3 t -81.41 125.89 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.18 0.514 . . . . 0.0 110.824 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.954 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 3.8 tp10 -89.52 -67.08 0.86 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.58 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.954 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 94.1 mt-30 -134.61 145.52 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.845 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG11 HG21 ' A' ' 47' ' ' VAL . 38.3 t -129.13 123.29 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.037 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.77 ' HG3' ' HB3' ' A' ' 46' ' ' GLU . 14.5 ptmt -123.32 94.58 4.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.311 0.577 . . . . 0.0 110.449 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.771 HG11 HG22 ' A' ' 45' ' ' VAL . 54.2 t -87.33 130.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.816 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -109.22 123.13 48.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.394 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -45.78 15.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.125 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.57 -54.94 41.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.912 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.28 -31.13 63.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.702 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.96 40.82 29.37 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.635 HG23 ' HA ' ' A' ' 10' ' ' GLN . 18.1 p -133.88 147.13 51.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.849 0.356 . . . . 0.0 110.228 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.795 HG21 HG21 ' A' ' 11' ' ' VAL . 95.1 t -115.54 121.05 66.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.028 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.77 ' HB3' ' HG3' ' A' ' 37' ' ' LYS . 27.9 tt0 -106.45 124.52 49.72 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.52 HG11 HG13 ' A' ' 27' ' ' VAL . 43.0 t -126.42 135.91 62.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.954 0.407 . . . . 0.0 111.401 -175.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 18.0 m -104.9 112.64 25.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' A' ' 4' ' ' MET . 26.6 pt -121.57 154.08 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.624 -175.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -88.71 98.68 11.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 m -78.8 3.02 17.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.657 -170.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.8 m -80.8 -11.2 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.172 0.511 . . . . 0.0 109.722 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -121.19 -63.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.588 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.56 ' O ' ' HA ' ' A' ' 51' ' ' SER . 12.3 p -102.18 141.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.4 p -97.07 172.22 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.76 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.612 HD12 HD23 ' A' ' 7' ' ' LEU . 3.6 mm? -70.25 -31.3 68.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.3 -43.07 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.003 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.33 -45.6 80.27 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.01 0.433 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.424 HD12 HG11 ' A' ' 27' ' ' VAL . 49.2 mm -58.8 -54.98 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.5 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.6 -43.67 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.6 89.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.543 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 95.0 t -75.11 -34.64 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.86 0.362 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.68 -49.54 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.45 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 32.1 mt-10 -66.17 -26.42 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.248 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.3 -24.8 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 73.2 mm-40 -80.71 -2.28 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.59 26.6 8.51 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.623 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.558 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 57.7 m-85 -114.85 149.44 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.44 100.98 9.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 171.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 11' ' ' VAL . 15.7 m -107.93 150.07 10.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.364 0.602 . . . . 0.0 112.23 -171.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 . . . . . 0 C--O 1.245 0.83 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.448 177.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -97.93 153.94 18.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 0.0 110.672 -174.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.92 95.28 3.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.029 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.59 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 52.3 mtt -83.18 109.21 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.253 0.549 . . . . 0.0 112.258 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -104.7 142.33 34.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.753 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -108.83 96.92 6.65 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 3.0 mm? -92.83 125.53 37.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 9.4 m -111.85 104.71 13.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.871 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.527 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -103.63 146.51 28.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.885 -176.212 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 26.6 mt-30 -76.29 131.61 39.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.52 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.69 HG21 HG21 ' A' ' 45' ' ' VAL . 23.2 t -113.77 107.48 23.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.803 0.335 . . . . 0.0 111.431 -175.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 61.1 mm-40 -88.97 118.64 28.83 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.62 25.52 1.41 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.564 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.482 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 19.4 mmt -73.51 112.08 9.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.367 . . . . 0.0 110.251 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.646 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 43.3 t -102.28 -76.85 0.57 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.507 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -141.24 -177.15 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.603 0.24 . . . . 0.0 111.277 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.17 -40.61 84.27 Favored Glycine 0 CA--C 1.521 0.452 0 CA-C-N 115.921 -0.582 . . . . 0.0 114.332 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -61.13 -27.52 68.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 117.418 0.609 . . . . 0.0 111.447 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 31.2 m -64.17 -28.48 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.14 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 HG12 ' A' ' 38' ' ' VAL . 73.0 t -58.67 -56.24 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.404 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -61.91 -39.86 93.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.378 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -62.21 1.81 Allowed 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.592 0.557 . . . . 0.0 111.117 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.543 HG21 ' O ' ' A' ' 19' ' ' CYS . 11.0 tt -67.58 -34.61 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.004 -177.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.88 -60.01 3.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.409 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.6 m -73.17 -30.79 63.81 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.837 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -53.61 -34.53 58.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.318 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG13 HD12 ' A' ' 59' ' ' ILE . 35.4 t -84.02 -48.17 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HA ' HG13 ' A' ' 33' ' ' VAL . 61.7 tttm -64.08 -31.56 72.8 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.76 -11.61 61.06 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 111.266 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 59' ' ' ILE . 30.4 mt -78.0 172.37 13.6 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 15.9 t-20 -85.04 153.05 22.98 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.29 17.51 66.22 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.065 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 28' ' ' LYS . 77.8 t -103.13 115.71 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-O 121.551 0.691 . . . . 0.0 110.021 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -87.24 -55.61 3.73 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.775 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.44 153.86 31.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 47' ' ' VAL . 35.9 m -130.73 156.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.341 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -144.19 93.95 2.51 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.54 HG12 HG13 ' A' ' 20' ' ' VAL . 2.3 p -87.89 109.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.395 0.617 . . . . 0.0 109.742 175.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -91.23 102.39 15.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.755 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.87 -47.66 82.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.193 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.33 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 111.532 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -82.79 -22.95 34.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' HA2' ' HG3' ' A' ' 14' ' ' MET . . . 72.15 28.13 68.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.842 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -132.25 153.7 50.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 110.713 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.69 HG21 HG21 ' A' ' 11' ' ' VAL . 76.6 t -129.93 120.11 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.077 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.6 tt0 -99.59 126.33 45.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 36' ' ' VAL . 39.3 t -123.56 128.68 74.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.566 178.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -96.61 103.19 15.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.634 HG23 HG12 ' A' ' 47' ' ' VAL . 23.3 pt -117.08 162.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.157 0.503 . . . . 0.0 111.404 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -91.21 107.26 19.08 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.929 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.3 p -76.07 0.67 17.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -94.4 -7.1 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.31 -54.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.623 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.6 p -109.39 152.24 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -95.19 156.85 16.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 57' ' ' LYS . 4.4 pp -68.06 -28.8 67.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.3 tmtt? -64.72 -37.1 86.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -56.42 -46.71 80.09 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 30' ' ' LEU . 42.7 mm -55.43 -56.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.215 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.585 HG11 HG23 ' A' ' 70' ' ' VAL . 60.7 t -57.37 -45.52 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.362 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.26 81.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.494 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 76.4 t -73.21 -43.87 56.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.695 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.3 mt -58.12 -52.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.694 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 42.8 mt-10 -64.18 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.986 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.4 -25.9 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 33.0 mm-40 -77.0 -9.79 58.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.35 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 43.53 1.3 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 81.2 m-85 -136.45 150.97 48.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.389 . . . . 0.0 110.449 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.867 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 9.1 m-20 -108.17 102.14 11.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.566 173.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.585 HG23 HG11 ' A' ' 60' ' ' VAL . 29.9 m -118.27 122.95 70.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.272 0.558 . . . . 0.0 110.89 -177.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.32 -176.6 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.683 0.278 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' HA ' ' HB2' ' A' ' 52' ' ' SER . 32.6 p30 -134.93 161.39 35.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.355 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.21 106.89 2.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.47 ' HE1' ' HG3' ' A' ' 34' ' ' GLU . 76.9 mmm -84.3 121.15 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -126.83 138.15 53.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.728 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -107.84 109.74 21.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -111.62 142.13 44.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -104.0 109.89 21.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.68 145.09 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.761 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -96.61 126.63 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.631 ' HB ' ' HE1' ' A' ' 14' ' ' MET . 13.9 t -115.33 110.54 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.528 -170.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.658 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 8.1 mm-40 -93.1 130.99 38.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.368 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.05 68.41 1.29 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.459 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.631 ' HE1' ' HB ' ' A' ' 11' ' ' VAL . 52.9 mtt -97.24 -167.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.669 -0.313 . . . . 0.0 110.428 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -125.6 -81.7 0.63 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.957 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 t -167.82 -74.23 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.219 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.57 -53.43 0.23 Allowed Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.87 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -67.07 -24.34 65.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.065 0.459 . . . . 0.0 111.183 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.594 ' O ' HG23 ' A' ' 23' ' ' ILE . 8.8 p -63.04 -23.92 67.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.773 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.43 -57.94 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.019 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.04 -33.56 76.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.9 -56.41 21.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.748 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 19' ' ' CYS . 6.9 tp -66.81 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.995 0.426 . . . . 0.0 110.626 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -51.5 -55.02 21.24 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.551 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 14.7 p -73.17 -33.41 65.42 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.227 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.6 p -56.43 -32.7 65.14 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.208 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.534 HG12 HD11 ' A' ' 59' ' ' ILE . 22.7 t -82.94 -45.96 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 172.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 56.7 tptt -64.03 -31.76 73.06 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.66 -24.9 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.395 0.616 . . . . 0.0 110.473 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.645 HD21 HG23 ' A' ' 62' ' ' VAL . 43.4 mt -74.3 147.93 41.86 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.667 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -82.5 127.12 33.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 2.56 32.29 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.646 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.589 HG23 HG21 ' A' ' 49' ' ' ILE . 74.3 t -105.03 122.76 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.823 0.344 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.533 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 24.1 mm-40 -90.93 -67.99 0.82 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.812 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -124.74 141.32 52.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.582 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.66 98.01 4.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.84 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.527 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 45.0 mtmt -95.05 93.52 7.42 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.163 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.29 117.07 29.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.292 0.568 . . . . 0.0 110.485 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -96.5 93.36 6.75 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD22 ' HG ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -62.71 -36.25 82.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.566 -173.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.29 -13.76 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.185 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.57 -35.7 4.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.963 0.411 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.84 28.43 13.98 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.391 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 p -130.15 151.78 50.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.672 0.272 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG23 HG22 ' A' ' 11' ' ' VAL . 69.3 t -129.82 120.89 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.848 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 52.6 mt-10 -94.16 118.81 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG12 HG11 ' A' ' 27' ' ' VAL . 30.4 t -119.39 135.53 59.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.821 0.343 . . . . 0.0 111.439 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 34' ' ' GLU . 2.4 m -96.94 104.23 16.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.647 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.589 HG21 HG23 ' A' ' 33' ' ' VAL . 43.8 pt -115.55 151.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 111.252 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 2' ' ' ASN . 45.6 t0 -90.02 99.85 12.79 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 169.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -72.5 -3.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.476 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . 33.3 m -92.55 0.9 57.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.28 0.562 . . . . 0.0 109.873 174.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.58 -70.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.187 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -99.81 144.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -104.42 166.42 10.41 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.186 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.18 -37.79 81.28 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.807 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.617 ' HB3' ' HZ3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.3 -42.85 87.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.559 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -62.51 -42.51 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 110.031 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.534 HD11 HG12 ' A' ' 27' ' ' VAL . 35.7 mm -59.07 -51.58 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.597 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 t -54.0 -46.61 65.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.836 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.65 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.645 HG23 HD21 ' A' ' 30' ' ' LEU . 60.2 t -69.81 -45.42 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 49.5 mt -56.75 -51.57 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.647 0.261 . . . . 0.0 111.632 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 28.0 mt-10 -67.07 -31.41 71.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.983 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.52 -25.32 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.29 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.6 mm100 -79.47 -12.23 59.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.208 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.86 25.26 4.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.112 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 96.4 m-85 -113.52 153.33 28.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 110.476 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.658 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 28.6 t70 -109.85 112.42 24.44 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -159.29 111.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.289 0.566 . . . . 0.0 110.679 -174.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.73 -179.026 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.607 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 13.3 m . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.718 0.294 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.63 -46.14 17.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.531 0.205 . . . . 0.0 111.035 -174.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.38 99.95 4.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.899 0.381 . . . . 0.0 109.99 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.607 ' SD ' ' HA ' ' A' ' 1' ' ' SER . 75.7 mmm -87.92 114.46 24.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.104 -173.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -115.22 126.86 55.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.116 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.497 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -111.25 113.94 26.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.808 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.03 145.18 50.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.738 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m -105.33 113.08 26.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.103 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.61 146.85 27.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 -177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.645 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.2 pt20 -94.35 128.73 41.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.7 ' HB ' ' HE3' ' A' ' 14' ' ' MET . 11.1 t -107.81 101.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.738 -174.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.87 117.07 29.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.2 34.7 0.93 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.49 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.7 ' HE3' ' HB ' ' A' ' 11' ' ' VAL . 49.5 mtt -78.62 138.27 38.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 111.585 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -92.74 3.48 55.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.984 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.1 t 70.02 139.69 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.634 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.19 -79.99 0.62 Allowed Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.548 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -58.35 -30.42 66.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.878 0.37 . . . . 0.0 111.233 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.491 ' O ' HG21 ' A' ' 23' ' ' ILE . 19.4 p -63.15 -27.23 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.8 -57.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.708 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -63.23 -38.91 93.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.964 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.75 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.839 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.491 HG21 ' O ' ' A' ' 19' ' ' CYS . 10.5 tp -69.48 -39.58 78.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.635 -176.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.6 -50.82 71.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.713 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 23.9 p -72.46 -32.34 66.17 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.432 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -53.32 -41.14 65.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.743 HG13 HG11 ' A' ' 47' ' ' VAL . 21.2 t -84.24 -43.6 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.288 174.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 40.3 ttmt -64.27 -32.73 74.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -173.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.6 mt-10 -67.34 -30.72 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.997 0.427 . . . . 0.0 110.45 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 HD23 HG21 ' A' ' 62' ' ' VAL . 52.9 mt -62.33 138.99 58.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.045 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -78.11 120.64 23.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.12 15.6 8.34 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.471 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 49' ' ' ILE . 71.4 t -118.53 127.09 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 121.16 0.505 . . . . 0.0 109.885 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.87 -52.92 4.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.029 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.5 148.48 28.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.678 HG11 HG22 ' A' ' 47' ' ' VAL . 22.3 t -127.85 116.22 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.667 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -114.53 94.83 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.759 HG23 HG23 ' A' ' 45' ' ' VAL . 3.6 p -83.16 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -108.81 98.36 7.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.535 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.64 -44.04 97.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -44.43 63.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.2 -19.29 25.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.868 0.366 . . . . 0.0 111.552 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.33 44.47 13.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.459 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' HA ' ' A' ' 10' ' ' GLN . 1.4 p -145.25 161.55 39.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.759 HG23 HG23 ' A' ' 38' ' ' VAL . 8.7 t -134.45 127.96 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -97.77 107.4 19.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.347 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.743 HG11 HG13 ' A' ' 27' ' ' VAL . 36.4 t -113.65 140.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.576 -172.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -113.04 110.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.507 HG22 HG23 ' A' ' 33' ' ' VAL . 18.3 pt -115.54 167.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -100.44 104.46 15.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -74.28 1.09 12.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -93.07 -6.38 48.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.17 0.509 . . . . 0.0 110.243 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -122.52 -51.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.99 -177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -111.81 151.46 13.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.1 p -104.14 161.34 14.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.295 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.26 -35.04 77.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.7 tmtm? -63.61 -39.58 94.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -56.12 -49.62 73.4 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.036 0.446 . . . . 0.0 109.919 176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.604 HD11 HG11 ' A' ' 27' ' ' VAL . 41.7 mm -55.84 -57.37 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.298 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG11 HG22 ' A' ' 70' ' ' VAL . 74.2 t -56.6 -50.59 72.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.104 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.05 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.833 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 86.8 t -66.31 -37.63 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.721 0.295 . . . . 0.0 110.633 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.6 mt -65.85 -50.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.366 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.86 -29.23 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.06 -23.72 67.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.105 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 61.4 mm-40 -82.85 0.64 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.757 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.89 44.47 3.34 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.091 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -131.78 157.93 42.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.686 0.279 . . . . 0.0 110.737 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -111.5 108.8 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.62 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG22 HG11 ' A' ' 60' ' ' VAL . 35.7 m -133.15 135.98 55.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.258 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.821 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -142.85 158.43 43.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.363 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.32 102.16 0.84 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.157 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.719 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -86.39 132.75 33.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.58 . . . . 0.0 111.453 -178.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 48' ' ' THR . 52.5 mm-40 -111.53 143.73 41.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.111 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -100.14 95.45 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.8 mt -109.59 121.66 45.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.096 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.439 HG22 ' HG2' ' A' ' 46' ' ' GLU . 90.1 m -98.99 104.72 16.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.949 178.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 1.5 pp -101.0 147.96 25.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.715 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -91.02 142.83 27.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.146 0.498 . . . . 0.0 110.78 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 HG21 ' A' ' 45' ' ' VAL . 17.6 t -118.54 121.18 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.6 -174.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -109.52 125.53 52.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.807 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.14 47.49 1.14 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.2 mmt -76.62 125.03 28.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.654 -0.321 . . . . 0.0 110.439 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 7.1 m -65.44 -69.2 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.541 -177.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p -164.38 -81.81 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.65 -53.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -61.47 -15.41 37.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 111.189 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.572 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.4 p -60.25 -31.88 70.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.637 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.686 HG12 ' HB ' ' A' ' 38' ' ' VAL . 96.3 t -61.85 -50.38 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.53 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.79 -44.01 94.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.637 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -56.95 15.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.433 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.688 HG22 HG22 ' A' ' 38' ' ' VAL . 11.4 tt -67.14 -34.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.974 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.34 -53.96 49.65 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.444 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 p -72.06 -32.27 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.581 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -54.72 -36.93 65.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.127 0.489 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG11 HD12 ' A' ' 59' ' ' ILE . 58.3 t -83.08 -45.41 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.72 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -67.42 -31.5 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -171.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.01 -25.91 66.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 120.987 0.423 . . . . 0.0 110.646 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.31 133.44 54.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.58 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.22 114.43 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.65 -4.48 13.16 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.906 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.748 HG21 HG21 ' A' ' 49' ' ' ILE . 70.7 t -94.85 115.11 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.55 0.691 . . . . 0.0 110.618 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.75 -56.11 4.78 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.058 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -149.96 155.77 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.587 HG23 HG21 ' A' ' 47' ' ' VAL . 3.2 p -148.4 116.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.606 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -108.2 107.55 18.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.617 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.688 HG22 HG22 ' A' ' 23' ' ' ILE . 50.9 t -85.19 115.38 26.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.358 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -100.54 102.2 13.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.203 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -48.0 69.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.357 -176.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -29.95 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.255 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 44' ' ' THR . 33.9 tt0 -93.93 -29.34 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.911 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.56 36.36 16.93 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.779 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 42' ' ' GLU . 69.8 p -138.09 162.9 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.918 0.389 . . . . 0.0 110.644 -177.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.661 HG21 HG23 ' A' ' 11' ' ' VAL . 97.3 t -133.62 117.35 26.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HG2' HG22 ' A' ' 8' ' ' THR . 19.4 mt-10 -94.49 108.74 20.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.648 HG12 HG23 ' A' ' 49' ' ' ILE . 6.1 t -112.55 136.56 48.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.974 -175.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 26.4 m -112.25 101.63 9.85 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.748 HG21 HG21 ' A' ' 33' ' ' VAL . 33.0 pt -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.013 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -74.2 99.44 3.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.5 p -76.04 8.01 3.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.468 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 m -90.16 -16.68 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.271 0.558 . . . . 0.0 109.737 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.92 -65.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.951 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -99.84 140.4 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -95.67 166.08 12.0 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.78 -30.98 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -64.1 -43.82 94.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.81 -44.7 78.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.31 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 27' ' ' VAL . 46.0 mm -57.97 -55.87 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.387 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.511 HG12 ' HB ' ' A' ' 70' ' ' VAL . 58.2 t -63.08 -41.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.034 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.8 78.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.021 0.439 . . . . 0.0 111.365 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.6 t -73.49 -45.79 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.7 mt -54.15 -51.71 44.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.56 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.9 -32.87 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.191 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.49 -24.88 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.0 110.838 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.59 -14.68 61.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.998 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.22 42.71 0.75 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.886 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 84.9 m-85 -137.59 162.04 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.91 128.15 47.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.511 ' HB ' HG12 ' A' ' 60' ' ' VAL . 62.2 t -127.35 120.04 53.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.992 -175.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.329 -0.843 . . . . 0.0 110.062 -179.402 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.693 0.282 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.592 ' HB3' ' OD2' ' A' ' 50' ' ' ASP . 93.6 m-20 -121.85 159.94 25.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -152.56 116.14 4.77 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.516 0.198 . . . . 0.0 111.493 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.48 ' HE3' HG22 ' A' ' 48' ' ' THR . 88.2 mmm -82.73 113.05 20.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -114.34 142.23 46.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.707 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -116.48 113.19 22.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -115.14 168.59 9.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.832 0.348 . . . . 0.0 111.124 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.6 m -133.36 118.93 19.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.247 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -114.09 144.92 42.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.359 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.8 pt20 -77.69 141.82 39.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' HA ' HG13 ' A' ' 70' ' ' VAL . 2.1 p -117.97 102.86 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.609 0.718 . . . . 0.0 111.271 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 21.3 mm-40 -98.79 127.36 44.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.558 173.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.41 8.27 4.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.059 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.47 ' SD ' HD23 ' A' ' 40' ' ' LEU . 62.2 mtm -67.8 157.62 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.758 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 t -147.53 -72.64 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 0.0 110.458 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -121.43 -170.52 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.73 -20.73 68.57 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.841 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -73.55 -26.84 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.686 -0.302 . . . . 0.0 111.328 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.1 p -65.92 -26.35 67.56 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.751 HG11 ' HB ' ' A' ' 38' ' ' VAL . 91.1 t -58.54 -54.22 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.676 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.67 -41.43 81.55 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.697 ' HB3' ' HH ' ' A' ' 68' ' ' TYR . . . -53.56 -60.57 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.513 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 HG21 HG22 ' A' ' 38' ' ' VAL . 13.6 tt -70.7 -33.56 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.618 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.513 ' HG3' HG23 ' A' ' 36' ' ' VAL . 36.0 tt0 -51.95 -55.63 19.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.476 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.528 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.3 m -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.63 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' HD22 ' A' ' 30' ' ' LEU . 68.4 m -55.73 -34.56 65.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.334 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.675 HG22 HD12 ' A' ' 63' ' ' ILE . 15.1 t -84.25 -52.83 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.7 tptt -55.86 -41.37 74.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -62.58 -32.98 74.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.46 . . . . 0.0 111.104 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 1.6 mm? -55.94 130.01 42.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.305 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.524 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 13.7 t-20 -69.46 116.14 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.2 -9.71 11.04 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -90.62 134.33 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.431 177.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -99.47 -69.69 0.76 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.002 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -132.63 145.68 51.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.834 0.35 . . . . 0.0 111.439 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.523 HG11 HG12 ' A' ' 47' ' ' VAL . 22.0 m -134.99 137.0 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -129.23 95.79 4.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.125 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.751 ' HB ' HG11 ' A' ' 20' ' ' VAL . 47.1 t -78.41 122.89 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.06 177.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -104.92 105.73 15.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD23 ' SD ' ' A' ' 14' ' ' MET . 1.1 tm? -65.3 -40.29 93.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.771 -175.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.24 83.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.255 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.23 -26.72 23.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.74 28.09 48.14 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.069 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -133.47 162.07 32.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 38' ' ' VAL . 48.8 t -127.98 125.81 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -92.72 130.81 38.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.523 HG12 HG11 ' A' ' 36' ' ' VAL . 52.9 t -133.59 130.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.389 . . . . 0.0 111.509 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.48 HG22 ' HE3' ' A' ' 4' ' ' MET . 4.2 m -99.21 109.53 22.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.197 172.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.505 HG21 HG13 ' A' ' 47' ' ' VAL . 35.6 pt -115.81 168.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.146 0.498 . . . . 0.0 110.955 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.592 ' OD2' ' HB3' ' A' ' 2' ' ' ASN . 12.3 t0 -103.9 101.81 11.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.5 t -77.56 4.11 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.296 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 m -98.04 -3.27 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.207 0.527 . . . . 0.0 109.976 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.8 t -120.7 -64.41 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.479 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.6 p -102.06 154.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.004 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -100.27 164.77 11.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 pp -75.32 -30.16 60.23 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.899 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.8 tmtm? -68.08 -43.88 77.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.21 -48.84 75.64 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.665 HG21 HG13 ' A' ' 27' ' ' VAL . 55.6 mt -58.95 -54.44 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.482 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.573 HG12 HG23 ' A' ' 70' ' ' VAL . 50.5 t -55.57 -42.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.95 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.785 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.8 t -66.5 -43.32 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.675 HD12 HG22 ' A' ' 27' ' ' VAL . 64.6 mt -62.92 -47.29 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.582 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.548 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 35.6 mt-10 -68.7 -25.27 64.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.682 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.44 -20.17 65.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -79.71 -10.4 59.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.427 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.28 2.74 33.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.343 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.697 ' HH ' ' HB3' ' A' ' 22' ' ' ALA . 98.7 m-85 -91.27 158.03 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 0.0 110.949 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 4.7 m-20 -116.74 104.88 11.79 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 171.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.573 HG23 HG12 ' A' ' 60' ' ' VAL . 34.0 m -122.4 145.76 28.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.558 -173.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.34 -178.455 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.63 133.65 54.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.48 95.99 5.42 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.3 mmm -86.72 97.0 10.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.515 -174.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -101.64 130.4 47.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.517 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -98.83 108.23 20.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.61 145.46 42.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.812 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.1 m -109.94 104.94 13.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.936 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.33 136.48 32.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.249 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.609 ' HA ' HG23 ' A' ' 44' ' ' THR . 16.0 pt20 -92.15 118.73 31.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.42 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.516 ' HA ' HG23 ' A' ' 70' ' ' VAL . 13.5 t -108.6 100.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.179 -175.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -98.59 116.11 30.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.507 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.91 42.88 0.76 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.846 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.496 ' HE3' ' HB ' ' A' ' 11' ' ' VAL . 19.6 mmt -58.58 149.88 24.48 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.043 0.449 . . . . 0.0 111.716 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 t -82.08 -74.99 0.32 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.189 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.63 -90.32 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.92 -54.51 0.07 OUTLIER Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.122 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -61.03 -22.32 64.44 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.24 0.543 . . . . 0.0 110.638 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.58 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.2 p -61.45 -24.48 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.972 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG11 HG12 ' A' ' 38' ' ' VAL . 75.1 t -56.98 -56.96 11.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 O-C-N 123.198 0.311 . . . . 0.0 110.7 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -69.44 -32.22 71.03 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.645 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -56.42 22.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.18 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.7 tt -68.43 -34.6 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.715 0.293 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.33 -52.82 60.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 46.2 m -72.4 -30.34 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.47 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.578 ' HB3' HG13 ' A' ' 62' ' ' VAL . 73.4 m -53.58 -37.77 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 59' ' ' ILE . 46.9 t -83.34 -51.79 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.046 173.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 24.7 ttmm -58.4 -40.05 81.37 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.84 -22.77 67.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 111.567 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.596 HD11 HD13 ' A' ' 59' ' ' ILE . 16.4 mt -71.4 132.95 45.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.473 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 26.8 t-20 -72.93 127.61 33.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.021 0.438 . . . . 0.0 111.16 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.65 0.61 27.56 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.419 HG12 HG11 ' A' ' 27' ' ' VAL . 77.0 t -95.33 122.51 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.294 0.568 . . . . 0.0 110.867 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -67.42 0.76 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -136.03 148.71 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.647 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG22 ' HB ' ' A' ' 27' ' ' VAL . 2.6 p -138.88 114.58 9.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.152 0.501 . . . . 0.0 110.364 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -116.88 101.41 8.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.34 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG23 HG21 ' A' ' 45' ' ' VAL . 3.9 p -85.5 117.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.347 0.594 . . . . 0.0 110.408 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.2 101.1 13.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.4 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.4 tm? -63.26 -41.35 99.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.979 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.01 -52.14 66.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.556 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.8 -34.84 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.38 . . . . 0.0 111.377 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.37 35.81 11.61 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.127 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 10' ' ' GLN . 21.7 p -139.91 160.27 40.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 HG23 ' A' ' 38' ' ' VAL . 33.6 t -128.44 120.43 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.745 0.307 . . . . 0.0 110.29 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.71 112.39 24.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.577 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.402 HG13 HG21 ' A' ' 49' ' ' ILE . 19.6 t -125.71 128.26 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.337 -175.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -96.02 111.7 23.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.402 HG21 HG13 ' A' ' 47' ' ' VAL . 27.5 pt -114.85 152.69 16.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 -176.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.04 95.66 10.41 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.0 t -74.74 -3.27 30.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.228 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.7 m -84.68 -13.69 50.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.173 0.511 . . . . 0.0 109.906 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -117.99 -62.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.136 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.5 p -101.96 148.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.99 158.1 15.73 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.84 -29.22 69.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -59.09 -40.62 85.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.54 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' O ' HG21 ' A' ' 62' ' ' VAL . 51.1 m-20 -56.03 -49.67 73.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.127 0.489 . . . . 0.0 110.032 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.746 HD11 HG13 ' A' ' 27' ' ' VAL . 36.8 mm -58.22 -52.07 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.284 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.07 -47.4 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.117 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.0 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.69 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' A' ' 26' ' ' SER . 47.4 t -65.93 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.881 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.8 -47.26 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.973 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.21 -26.57 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.592 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.63 -26.11 68.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.973 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -73.43 -9.96 59.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.25 27.82 6.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -116.15 160.16 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -114.19 117.62 31.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 11' ' ' VAL . 87.1 t -132.89 128.79 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.402 -176.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--O 1.25 1.102 0 O-C-N 123.897 0.748 . . . . 0.0 110.361 177.885 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.532 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 46.8 p . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 121.261 0.553 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -107.76 115.02 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.946 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.56 82.57 0.16 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 -174.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.532 ' SD ' ' HA ' ' A' ' 1' ' ' SER . 89.6 mmm -87.41 101.96 14.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.664 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.53 113.87 25.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.235 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -101.5 115.54 30.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.83 146.59 49.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 111.136 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -110.79 104.53 13.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.104 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' H ' HD22 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.33 141.38 28.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.621 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.5 pt20 -83.24 146.55 28.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 172.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.35 111.73 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.55 0.69 . . . . 0.0 111.431 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.788 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 5.7 mm-40 -87.19 111.93 21.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.638 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.37 -110.77 0.46 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.837 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.5 mtt 62.54 -170.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.289 0.636 . . . . 0.0 112.077 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 p -158.66 -73.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.774 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.2 t -153.83 -56.41 0.11 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.913 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -141.14 -33.69 0.12 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.318 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -63.42 -49.35 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.062 0.431 . . . . 0.0 110.949 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' HG22 ' A' ' 23' ' ' ILE . 96.8 m -63.6 -24.49 67.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.691 0.281 . . . . 0.0 111.23 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 76.7 t -61.71 -58.04 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.52 -23.62 60.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.723 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -57.31 12.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.471 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.4 tt -67.96 -34.58 67.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.647 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 40.2 tt0 -53.27 -52.62 58.45 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.299 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 p -73.46 -30.71 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.904 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' HD21 ' A' ' 30' ' ' LEU . 71.3 m -53.35 -40.83 65.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.501 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.611 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 5.7 p -83.88 -43.96 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.031 0.443 . . . . 0.0 111.163 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 7.6 tmtm? -57.46 -39.96 77.45 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.276 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.88 -23.79 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 3.9 mm? -62.42 129.53 41.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.358 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.525 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 51.3 t30 -71.46 111.43 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.602 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.94 18.03 4.83 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.045 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.72 122.55 59.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.113 0.483 . . . . 0.0 110.569 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.8 -66.61 0.82 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.729 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -138.04 152.56 48.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.665 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.18 122.04 55.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.271 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.698 ' HB3' ' HZ1' ' A' ' 37' ' ' LYS . 9.1 mtpm? -114.68 94.23 4.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.25 124.36 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.251 0.548 . . . . 0.0 110.013 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -106.01 95.79 6.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.355 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.33 -35.79 81.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.706 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.78 55.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.56 -21.42 14.73 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.74 30.36 61.89 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.728 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.472 HG21 ' HA ' ' A' ' 10' ' ' GLN . 22.8 p -134.64 165.8 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -134.92 124.81 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.226 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.637 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 43.9 mt-10 -98.4 115.83 29.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.864 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -126.91 128.89 71.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.825 0.345 . . . . 0.0 111.429 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.5 m -101.96 118.19 36.39 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 4' ' ' MET . 18.6 pt -115.65 160.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.518 . . . . 0.0 112.034 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -93.56 103.71 15.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 168.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 t -77.78 -0.03 25.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.019 0.438 . . . . 0.0 111.374 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.5 m -91.25 -13.1 33.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.085 0.469 . . . . 0.0 110.066 175.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.42 -58.65 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.276 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.525 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 9.7 p -105.08 156.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.2 p -108.06 160.99 15.36 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.1 tp -69.1 -36.14 77.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.893 0.377 . . . . 0.0 110.288 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -64.82 -42.62 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 -175.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 62' ' ' VAL . 19.2 m-20 -58.09 -41.64 83.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.052 0.453 . . . . 0.0 110.273 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.69 -51.49 61.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.777 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.409 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 71.6 t -55.93 -43.21 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.572 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.66 -54.76 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.078 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.494 HG21 HD23 ' A' ' 30' ' ' LEU . 93.3 t -60.01 -44.02 93.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.585 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.448 HG22 HG12 ' A' ' 70' ' ' VAL . 72.7 mt -64.22 -50.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.6 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 38.7 mt-10 -66.41 -30.77 71.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.457 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.51 -21.96 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.767 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.2 mm-40 -84.73 2.94 39.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.797 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.32 44.29 4.39 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -129.81 154.63 47.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.788 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 35.4 t70 -113.84 100.39 8.4 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 17.9 m -112.08 164.55 7.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.896 0.379 . . . . 0.0 111.706 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.882 -178.027 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m120 60.04 82.48 0.15 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.676 0.61 . . . . 0.0 111.585 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.83 119.08 30.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.255 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.5 mmm -82.54 122.55 28.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -119.97 144.87 47.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -114.78 116.82 29.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.2 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.747 ' HG ' HD13 ' A' ' 56' ' ' LEU . 3.0 mm? -121.5 162.03 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -118.86 113.92 21.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.075 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.64 133.91 44.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.136 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.585 ' HA ' HG21 ' A' ' 44' ' ' THR . 1.6 pt20 -90.81 127.54 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 110.221 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.634 ' HB ' ' HE3' ' A' ' 14' ' ' MET . 10.8 t -113.3 106.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 43.4 mt-10 -94.73 123.86 38.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.282 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.03 40.96 2.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.023 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.634 ' HE3' ' HB ' ' A' ' 11' ' ' VAL . 50.9 mtt -77.96 124.74 28.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.899 0.35 . . . . 0.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -76.73 -2.06 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.61 ' HA ' HD21 ' A' ' 40' ' ' LEU . 42.1 t 72.33 164.78 0.29 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.363 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.62 -105.7 0.89 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.754 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.88 -12.94 60.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 110.916 -175.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' HG21 ' A' ' 23' ' ' ILE . 46.4 t -54.0 -35.17 61.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.498 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG12 ' CG1' ' A' ' 38' ' ' VAL . 69.9 t -57.45 -63.44 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.264 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.44 -37.41 75.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.113 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -60.06 4.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.212 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -67.87 -34.45 67.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 45.1 tt0 -55.27 -46.34 76.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.144 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.419 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 26.2 m -72.53 -34.74 67.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.292 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 m -54.38 -32.45 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 59' ' ' ILE . 13.7 t -83.38 -55.28 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.614 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 20.4 ttmm -57.37 -38.38 74.13 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.89 -19.1 64.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.141 0.496 . . . . 0.0 111.086 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 62' ' ' VAL . 36.4 mt -78.08 148.18 34.35 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.248 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.412 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 29.6 t30 -78.41 128.69 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.296 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.29 13.78 27.77 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.417 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 27' ' ' VAL . 86.4 t -104.55 136.52 37.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 O-C-N 122.637 -0.331 . . . . 0.0 110.538 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.705 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.8 tp10 -101.59 -69.14 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.514 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.705 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 21.3 mt-30 -143.45 149.17 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.189 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.655 HG11 HG13 ' A' ' 47' ' ' VAL . 27.0 m -130.1 137.81 55.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.25 0.548 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.719 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 44.6 mtpt -117.34 91.45 3.58 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 45' ' ' VAL . 2.7 p -88.12 115.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 0.0 110.56 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -96.82 103.65 15.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.654 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.61 HD21 ' HA ' ' A' ' 16' ' ' CYS . 2.2 tm? -63.26 -48.02 79.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.002 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.24 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.672 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -82.76 -34.75 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.721 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.493 ' HA2' ' SD ' ' A' ' 14' ' ' MET . . . 82.34 31.18 31.64 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.387 -176.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' ' 10' ' ' GLN . 22.9 p -139.57 154.75 47.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.683 0.278 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 HG22 ' A' ' 38' ' ' VAL . 22.9 t -127.26 121.28 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.893 0.378 . . . . 0.0 110.764 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 41.1 mt-10 -88.26 110.87 21.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.371 174.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.655 HG13 HG11 ' A' ' 36' ' ' VAL . 22.6 t -116.33 136.73 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.062 0.458 . . . . 0.0 112.016 -173.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 m -103.39 114.59 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.472 HG22 HG11 ' A' ' 47' ' ' VAL . 43.0 pt -121.75 156.31 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.06 97.99 7.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.399 167.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.8 p -68.33 -9.93 51.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.224 0.535 . . . . 0.0 111.044 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 m -87.61 -5.77 58.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.577 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -125.39 -64.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.1 p -106.25 138.55 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 p -94.28 165.39 12.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.735 -0.386 . . . . 0.0 109.991 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.747 HD13 ' HG ' ' A' ' 7' ' ' LEU . 10.1 tt -61.68 -40.49 95.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.401 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.2 tmtm? -66.97 -31.26 71.71 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.696 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.89 -51.93 65.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.238 0.542 . . . . 0.0 109.822 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.618 HD11 HG11 ' A' ' 27' ' ' VAL . 38.2 mm -54.81 -51.63 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.109 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.656 HG13 ' HB ' ' A' ' 70' ' ' VAL . 89.7 t -58.66 -45.47 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.457 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.53 -43.52 84.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.517 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.606 HG21 HD21 ' A' ' 30' ' ' LEU . 61.8 t -70.53 -36.47 66.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.514 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 59' ' ' ILE . 72.8 mt -66.55 -39.82 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 45.7 mt-10 -71.77 -39.06 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.874 0.369 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.06 -19.96 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.493 0.663 . . . . 0.0 109.993 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.26 -1.85 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.734 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.39 16.05 25.92 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.621 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.551 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 83.1 m-85 -108.46 157.4 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 0.0 111.214 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.628 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 13.2 m-20 -110.19 106.7 16.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 176.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.656 ' HB ' HG13 ' A' ' 60' ' ' VAL . 97.6 t -126.24 126.78 69.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.396 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.233 -179.308 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.912 0.387 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -126.35 -40.02 2.0 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.36 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.24 101.9 2.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.092 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.505 ' HE2' ' HG3' ' A' ' 34' ' ' GLU . 12.2 ptm -103.79 118.82 37.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.494 0.664 . . . . 0.0 111.477 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 150.11 22.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.991 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.08 120.35 40.08 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -126.85 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.531 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.43 HG22 ' HG2' ' A' ' 46' ' ' GLU . 28.9 m -116.22 104.68 11.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.842 177.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.11 135.07 34.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.671 0.272 . . . . 0.0 111.191 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 68.1 mm-40 -88.69 113.59 24.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.661 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.524 HG22 HG21 ' A' ' 45' ' ' VAL . 15.4 t -111.56 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.53 128.98 48.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.136 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 29.85 1.38 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.508 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.495 ' HE3' ' HB ' ' A' ' 11' ' ' VAL . 23.2 mmt -65.7 126.51 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.691 0.281 . . . . 0.0 110.577 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.623 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t -93.29 -77.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.431 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -142.88 -173.97 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.707 0.289 . . . . 0.0 111.127 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.25 -38.03 91.44 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 113.466 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.384 -0.48 . . . . 0.0 110.145 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.623 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 63.8 m -65.06 -26.88 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.431 178.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG22 HD23 ' A' ' 40' ' ' LEU . 59.3 t -62.73 -48.05 89.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.275 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -65.07 -42.09 94.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.928 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.32 -55.65 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.654 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 19' ' ' CYS . 9.8 tt -63.48 -37.58 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 120.633 0.254 . . . . 0.0 110.7 -177.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.47 -57.23 11.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 p -72.42 -30.05 64.28 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.786 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 59' ' ' ILE . 61.4 t -82.46 -45.05 19.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -42.56 98.11 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.929 -175.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.74 -21.79 66.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.638 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 HD12 ' A' ' 59' ' ' ILE . 18.2 mt -67.21 143.34 56.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.896 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.25 131.48 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.232 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.54 -11.65 54.02 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.869 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.417 HG23 HG21 ' A' ' 49' ' ' ILE . 66.1 t -85.48 121.79 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.505 ' HG3' ' HE2' ' A' ' 4' ' ' MET . 60.1 mm-40 -86.79 -68.96 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.612 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -132.9 138.68 47.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.844 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 47' ' ' VAL . 2.9 p -133.34 126.57 52.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -125.46 109.45 12.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.484 0.659 . . . . 0.0 110.297 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 45' ' ' VAL . 3.6 p -85.84 125.91 40.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.063 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -104.87 93.37 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.761 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD23 HG22 ' A' ' 20' ' ' VAL . 3.1 tm? -62.82 -36.82 84.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.109 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.25 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.347 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -105.74 -31.52 8.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.92 35.9 6.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.135 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 p -135.48 159.93 40.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.143 0.497 . . . . 0.0 111.677 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.54 HG22 HG22 ' A' ' 38' ' ' VAL . 59.5 t -134.44 114.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.67 175.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HG2' HG22 ' A' ' 8' ' ' THR . 30.6 mt-10 -96.29 123.19 39.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.923 0.392 . . . . 0.0 109.95 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.654 HG21 HG21 ' A' ' 36' ' ' VAL . 8.8 t -130.13 143.36 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.996 -174.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -102.18 107.3 18.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.417 HG21 HG23 ' A' ' 33' ' ' VAL . 31.1 pt -115.44 147.24 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 0.0 111.002 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -83.9 102.75 12.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 p -73.66 -4.29 33.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.486 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -85.28 -6.26 59.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.281 0.562 . . . . 0.0 109.497 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -127.15 -66.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.524 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -98.13 137.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.9 p -99.65 -175.96 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.231 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 mp -71.29 -44.29 65.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -52.47 -38.29 59.05 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.928 0.768 . . . . 0.0 111.56 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.93 -52.44 65.2 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.198 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 30' ' ' LEU . 25.4 mm -65.27 -48.45 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.218 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 56' ' ' LEU . 49.7 t -56.97 -54.71 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.085 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.99 95.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.809 -176.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.519 HG11 HD13 ' A' ' 30' ' ' LEU . 8.5 p -64.94 -31.85 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.578 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.518 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 67.4 mt -70.82 -55.86 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.087 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 50.4 mt-10 -59.26 -34.33 72.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.957 -173.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.34 -25.79 67.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.713 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.518 ' NE2' ' HA ' ' A' ' 63' ' ' ILE . 42.7 mt-30 -74.66 -9.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.761 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.55 35.93 1.66 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.97 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.487 ' OH ' ' HB3' ' A' ' 19' ' ' CYS . 76.3 m-85 -125.65 171.91 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.023 0.44 . . . . 0.0 110.618 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.35 121.43 21.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.487 174.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 25.3 t -118.92 131.17 72.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.799 0.333 . . . . 0.0 110.236 -177.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.892 -179.371 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 120.858 0.361 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -129.16 161.92 28.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.276 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.63 99.44 2.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.939 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.482 ' HE3' HG23 ' A' ' 48' ' ' THR . 85.9 mmm -76.83 119.39 20.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.676 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 48' ' ' THR . 61.9 mm-40 -105.1 111.17 23.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.657 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.79 104.01 16.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.8 mt -119.47 135.11 54.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.82 0.343 . . . . 0.0 111.328 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.0 m -105.01 104.94 14.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.038 173.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.42 127.19 38.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.554 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HA ' HG23 ' A' ' 44' ' ' THR . 26.2 pt20 -82.47 127.42 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.431 ' HB ' ' HE1' ' A' ' 14' ' ' MET . 42.5 t -104.0 105.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.362 -172.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -92.0 112.94 25.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.653 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 33.81 0.98 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.821 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.431 ' HE1' ' HB ' ' A' ' 11' ' ' VAL . 16.8 mmt -65.66 138.51 58.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.584 0.231 . . . . 0.0 110.57 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.437 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 48.2 t -88.47 -86.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.425 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -149.52 -74.38 0.17 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.809 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.28 -47.66 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.425 -0.893 . . . . 0.0 113.349 -177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -68.3 -15.76 63.69 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.104 0.478 . . . . 0.0 110.571 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.591 ' O ' HG21 ' A' ' 23' ' ' ILE . 7.2 p -62.55 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.461 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.744 HG13 ' HB ' ' A' ' 38' ' ' VAL . 75.1 t -63.84 -54.8 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.21 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -50.41 -49.36 54.87 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.799 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -63.23 1.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.587 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.628 HG23 HG21 ' A' ' 38' ' ' VAL . 9.8 tt -64.12 -37.59 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -174.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -54.68 -55.77 26.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.456 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 p -72.39 -30.34 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.485 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -53.51 -36.52 61.82 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.94 -47.02 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.131 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -63.55 -31.77 73.04 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.05 -25.34 65.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.034 0.445 . . . . 0.0 110.757 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.14 141.37 58.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.179 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 33.7 t30 -77.47 121.26 23.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.812 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.88 8.9 21.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.583 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -104.38 114.22 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-O 121.737 0.78 . . . . 0.0 110.033 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 48' ' ' THR . 8.3 tp10 -76.41 -48.9 18.2 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.424 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 3.9 pt20 -156.85 161.93 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.638 HG23 HG23 ' A' ' 47' ' ' VAL . 3.5 p -159.6 116.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 37' ' ' LYS . 3.2 mppt? -118.85 116.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.428 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.744 ' HB ' HG13 ' A' ' 20' ' ' VAL . 40.2 t -93.97 114.62 30.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.108 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.61 110.82 22.87 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.352 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.53 -39.9 80.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.359 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.991 0.425 . . . . 0.0 110.793 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -79.41 -34.29 41.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.058 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.61 21.42 66.58 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 10' ' ' GLN . 46.9 p -132.0 161.33 33.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.447 -0.377 . . . . 0.0 110.454 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.613 HG22 HG13 ' A' ' 38' ' ' VAL . 42.4 t -126.1 122.98 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -92.63 110.25 21.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.638 HG23 HG23 ' A' ' 36' ' ' VAL . 25.3 t -117.04 138.15 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.773 -176.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.482 HG23 ' HE3' ' A' ' 4' ' ' MET . 18.0 m -119.92 108.81 14.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.531 HG22 HG22 ' A' ' 33' ' ' VAL . 38.0 pt -115.95 170.86 5.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -103.14 106.29 16.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 52.0 p -72.3 -7.46 49.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.017 0.437 . . . . 0.0 111.079 -175.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -89.58 2.13 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.411 0.624 . . . . 0.0 109.802 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -126.95 -61.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.99 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 51' ' ' SER . 13.7 p -112.75 136.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -81.69 156.69 24.92 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.497 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' HG21 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -68.75 -31.87 71.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.849 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 4.2 tmtt? -68.4 -34.27 75.72 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' O ' HG22 ' A' ' 62' ' ' VAL . 2.9 m-20 -60.23 -43.89 95.66 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG13 HG23 ' A' ' 49' ' ' ILE . 46.3 mm -56.65 -53.78 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 43.1 t -61.31 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.169 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -47.94 80.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.428 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 94.2 t -59.78 -46.23 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.9 -48.2 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.955 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 46.0 mt-10 -63.44 -42.51 98.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.17 -26.95 69.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.1 mm100 -76.67 3.81 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.631 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.84 27.69 6.22 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.647 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 89.9 m-85 -124.08 164.45 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.664 -0.315 . . . . 0.0 110.231 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -129.74 115.31 17.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.39 118.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.049 0.452 . . . . 0.0 111.121 -174.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.014 177.397 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -140.31 149.09 42.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.842 0.353 . . . . 0.0 110.258 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -139.37 107.89 5.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.961 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.645 ' HA ' ' HE1' ' A' ' 4' ' ' MET . 29.0 mmt -83.04 94.41 7.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 111.188 -177.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 118.08 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.375 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.24 106.08 18.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.482 HD22 ' HB3' ' A' ' 56' ' ' LEU . 10.8 mp -93.26 152.55 19.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.044 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.401 HG21 ' HG2' ' A' ' 46' ' ' GLU . 3.4 m -134.87 103.87 5.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.414 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 1.1 pp -114.75 145.1 42.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.603 0.24 . . . . 0.0 111.414 -176.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.405 ' HA ' HG22 ' A' ' 44' ' ' THR . 49.2 mt-30 -82.96 146.47 28.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.516 ' HA ' HG11 ' A' ' 70' ' ' VAL . 20.2 t -116.01 106.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -175.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 69' ' ' ASP . 12.2 tp10 -96.95 110.19 22.77 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.26 32.29 0.27 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.983 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.9 mmt -81.99 95.61 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 p -91.69 -31.29 15.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.765 0.317 . . . . 0.0 111.428 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 18' ' ' HIS . 14.2 p -161.53 179.2 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.7 -18.79 74.33 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.283 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 62.6 m170 -62.67 -27.71 69.42 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.556 0.217 . . . . 0.0 110.583 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.556 ' O ' HG21 ' A' ' 23' ' ' ILE . 65.7 m -56.95 -35.49 69.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG12 ' CG1' ' A' ' 38' ' ' VAL . 74.7 t -48.76 -61.3 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.344 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.79 -37.18 84.07 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.93 -58.21 9.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.815 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.556 HG21 ' O ' ' A' ' 19' ' ' CYS . 19.1 tt -69.96 -34.33 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.037 -177.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.494 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 5.4 tm-20 -56.71 -49.8 74.09 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 12.0 p -72.6 -30.77 64.64 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.679 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' HD21 ' A' ' 30' ' ' LEU . 62.3 m -56.25 -35.63 67.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.616 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 17.6 t -84.2 -44.83 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 173.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 4.4 tppp? -63.37 -36.25 83.08 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -173.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.37 -19.91 65.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.182 0.515 . . . . 0.0 110.81 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.649 HD23 HG22 ' A' ' 62' ' ' VAL . 3.7 mm? -69.52 123.34 21.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.127 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.477 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 32.2 t30 -65.43 114.64 4.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.212 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.1 -9.29 8.45 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.17 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.42 HG11 HG12 ' A' ' 27' ' ' VAL . 78.0 t -86.81 133.59 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -89.89 -67.4 0.85 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.016 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -133.79 145.93 50.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.589 HG13 HG21 ' A' ' 47' ' ' VAL . 20.1 t -127.06 100.29 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.663 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -98.38 94.05 6.53 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.058 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' CG1' HG12 ' A' ' 20' ' ' VAL . 3.3 p -80.95 119.94 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.393 0.616 . . . . 0.0 110.391 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.517 ' CB ' ' HB2' ' A' ' 42' ' ' GLU . 16.2 mm-40 -94.69 96.64 9.53 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.637 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.89 -48.83 80.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.951 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -33.78 61.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.838 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.517 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 27.7 mm-40 -81.81 -21.31 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.681 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.18 23.58 68.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.126 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.405 HG22 ' HA ' ' A' ' 10' ' ' GLN . 11.0 p -137.52 168.69 19.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG13 HG23 ' A' ' 47' ' ' VAL . 95.0 t -133.78 127.81 52.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.085 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' HG2' HG21 ' A' ' 8' ' ' THR . 39.5 mt-10 -108.18 114.99 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.904 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.589 HG21 HG13 ' A' ' 36' ' ' VAL . 48.7 t -127.7 132.52 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.755 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.4 m -95.21 112.66 24.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.41 HG21 HG21 ' A' ' 33' ' ' VAL . 30.5 pt -115.62 157.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.901 0.382 . . . . 0.0 110.923 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.447 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 45.2 t0 -93.66 96.56 9.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 t -73.64 -4.96 37.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 -174.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -83.56 -8.31 59.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.69 -69.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.224 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 14.0 p -95.16 144.42 9.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -101.06 161.18 13.78 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.104 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.679 HD12 HE22 ' A' ' 71' ' ' GLN . 3.6 pp -61.66 -30.78 70.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' N ' HD13 ' A' ' 56' ' ' LEU . 6.0 tmtt? -67.39 -42.88 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.239 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -53.14 -51.96 60.28 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.636 0.731 . . . . 0.0 109.653 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 63' ' ' ILE . 72.8 mt -63.14 -52.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.371 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.31 -40.37 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.819 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.23 80.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.649 HG22 HD23 ' A' ' 30' ' ' LEU . 95.1 t -67.23 -44.15 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.414 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 HG21 ' A' ' 27' ' ' VAL . 82.7 mt -60.01 -48.79 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.026 0.441 . . . . 0.0 111.414 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.62 -24.74 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.877 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.38 -20.1 64.67 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.161 0.505 . . . . 0.0 110.472 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -79.09 -21.21 47.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.897 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 35.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -127.17 156.05 42.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 11.9 m-20 -115.23 102.49 9.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG11 ' HA ' ' A' ' 11' ' ' VAL . 34.7 m -122.5 165.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.64 -171.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.679 HE22 HD12 ' A' ' 56' ' ' LEU . 46.9 tt0 . . . . . 0 C--O 1.25 1.083 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.572 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 120.929 0.395 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -111.68 -62.09 1.61 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.843 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.14 99.94 3.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.743 0.306 . . . . 0.0 110.952 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.633 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 51.8 mtt -87.83 121.71 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.147 0.499 . . . . 0.0 111.634 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -106.0 127.16 52.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.902 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -101.08 100.03 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.32 140.88 45.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -105.31 111.02 23.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.52 126.34 45.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.446 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' HA ' HG21 ' A' ' 44' ' ' THR . 0.6 OUTLIER -82.37 123.65 29.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.113 0.483 . . . . 0.0 109.993 176.1 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 p -122.82 131.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.771 -172.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.2 147.04 45.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.259 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.7 -14.99 9.78 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.514 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.518 ' HB2' ' CB ' ' A' ' 19' ' ' CYS . 25.0 ptt? -106.82 142.53 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 m -143.28 3.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -141.51 169.8 16.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 111.581 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.72 -25.76 73.96 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -56.84 -43.56 81.24 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.518 ' CB ' ' HB2' ' A' ' 14' ' ' MET . 61.0 m -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.381 176.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.591 HG13 HG13 ' A' ' 38' ' ' VAL . 96.5 t -48.47 -53.3 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.533 0.521 . . . . 0.0 111.015 177.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.68 -50.44 73.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -58.67 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.843 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.0 tt -64.26 -34.97 72.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.972 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.41 -52.64 63.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.313 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 50.2 m -72.53 -34.47 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.503 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -52.93 -40.17 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 47' ' ' VAL . 32.2 t -82.86 -41.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.227 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -71.6 -33.21 68.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.2 mt-10 -62.91 -31.04 72.02 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.196 0.522 . . . . 0.0 110.331 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.682 HD13 HG11 ' A' ' 62' ' ' VAL . 42.8 mt -55.51 138.01 47.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.651 -176.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.22 120.71 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.504 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.6 -1.55 24.79 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.647 HG23 HG21 ' A' ' 49' ' ' ILE . 78.0 t -101.46 125.21 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.482 0.658 . . . . 0.0 110.15 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.74 -64.25 1.18 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.737 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -138.83 144.89 39.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.916 0.389 . . . . 0.0 111.098 -175.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.768 HG23 HG13 ' A' ' 47' ' ' VAL . 65.0 t -133.84 119.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.991 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -125.89 96.15 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.834 0.826 . . . . 0.0 110.074 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 45' ' ' VAL . 3.6 p -84.3 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.246 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.3 112.78 22.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.92 0.39 . . . . 0.0 110.663 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HA ' ' HE1' ' A' ' 14' ' ' MET . 2.9 tm? -71.54 -34.74 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.625 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.98 87.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.663 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.32 -25.23 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.72 0.295 . . . . 0.0 111.66 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.0 40.35 30.39 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.104 -1.046 . . . . 0.0 110.941 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.465 HG21 ' HA ' ' A' ' 10' ' ' GLN . 14.3 p -134.58 146.86 50.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 0.0 110.883 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.804 HG23 HG23 ' A' ' 38' ' ' VAL . 21.3 t -119.41 110.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.726 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -97.11 115.27 27.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.768 HG13 HG23 ' A' ' 36' ' ' VAL . 39.1 t -120.21 143.24 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.021 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.6 m -112.07 107.29 16.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.908 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.647 HG21 HG23 ' A' ' 33' ' ' VAL . 34.2 pt -115.84 163.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.036 -176.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -95.86 109.51 21.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 170.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.7 p -74.9 -0.48 18.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.66 -173.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -89.92 -11.37 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 109.98 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.62 -68.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.609 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -100.13 144.13 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.0 p -109.09 173.73 6.19 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.108 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mp -66.55 -36.17 82.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.644 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -58.3 -42.42 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.195 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.49 -42.08 95.58 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.006 0.432 . . . . 0.0 110.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.477 HD11 HG12 ' A' ' 27' ' ' VAL . 48.1 mm -66.87 -46.48 85.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.35 -47.57 92.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.26 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.388 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 30' ' ' LEU . 15.0 p -65.28 -42.58 94.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.586 0.232 . . . . 0.0 111.323 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.97 -49.77 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.375 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 22.5 mt-10 -72.89 -25.83 61.22 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.842 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.87 -32.02 73.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.1 mm100 -71.05 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.36 9.41 21.78 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.907 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 61.3 m-85 -96.07 156.35 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.01 0.405 . . . . 0.0 111.371 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.64 112.28 24.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.849 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 11' ' ' VAL . 14.2 m -125.54 164.54 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.576 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.906 -177.238 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 111.212 0.078 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 53.12 -92.85 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.046 0.538 . . . . 0.0 112.018 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.87 106.76 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.3 ptp -97.84 143.92 27.96 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.138 0.495 . . . . 0.0 111.669 -173.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.99 125.1 50.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.389 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.471 ' HG2' HG22 ' A' ' 48' ' ' THR . 75.0 mt-30 -105.62 100.4 9.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.07 142.33 49.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 44' ' ' THR . 29.1 m -105.8 104.7 14.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.682 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.78 140.05 39.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.61 -175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.688 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 42.9 mt-30 -83.68 127.52 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.749 HG21 HG22 ' A' ' 45' ' ' VAL . 38.8 t -119.28 114.55 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.894 0.378 . . . . 0.0 111.672 -173.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 54.9 mt-10 -111.41 134.88 52.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.29 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.58 20.28 3.93 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.274 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.612 ' HE1' ' HB ' ' A' ' 11' ' ' VAL . 64.3 mtt -77.2 157.95 30.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.631 0.253 . . . . 0.0 110.446 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 t -124.86 -73.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.389 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.02 -163.35 1.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.99 -29.94 69.01 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.628 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -62.87 -40.0 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.565 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 21.4 p -66.76 -23.42 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.411 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.91 -55.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.16 -28.69 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.488 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.07 61.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 19' ' ' CYS . 12.6 tt -69.24 -33.82 59.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.45 -52.4 59.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.49 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 6.3 p -72.47 -32.48 66.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.463 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' HD22 ' A' ' 30' ' ' LEU . 66.6 m -55.44 -34.99 64.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.76 0.314 . . . . 0.0 110.38 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.554 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 27.3 t -83.64 -43.01 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.586 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -65.02 -40.11 94.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.314 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.8 -24.87 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.522 . . . . 0.0 110.663 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 2.2 mm? -64.39 130.01 42.13 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.067 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -71.58 132.0 44.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.04 -2.21 44.35 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.964 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG13 HG11 ' A' ' 27' ' ' VAL . 80.5 t -95.47 124.71 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 121.294 0.569 . . . . 0.0 110.671 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.543 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 6.8 tp10 -91.16 -63.39 1.27 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.462 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.543 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 86.1 mt-30 -122.35 142.23 50.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.77 0.319 . . . . 0.0 111.463 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -133.77 103.41 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.709 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 37.1 ttpt -110.19 96.12 6.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.411 HG12 HG23 ' A' ' 45' ' ' VAL . 59.8 t -77.06 117.16 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.997 0.427 . . . . 0.0 110.01 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.18 95.15 6.62 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 40' ' ' LEU . 3.1 tm? -69.02 -32.54 72.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.882 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.99 -15.32 63.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.831 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -118.3 -30.53 5.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.745 0.307 . . . . 0.0 111.159 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.97 39.58 8.52 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.506 ' HB ' HG23 ' A' ' 8' ' ' THR . 69.5 p -138.61 166.14 25.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.749 HG22 HG21 ' A' ' 11' ' ' VAL . 72.3 t -134.28 116.79 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.222 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 37' ' ' LYS . 33.3 tt0 -86.28 112.78 21.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.628 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG13 HG22 ' A' ' 49' ' ' ILE . 42.1 t -120.71 130.22 74.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 111.364 -176.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 6' ' ' GLN . 33.0 m -109.33 120.98 44.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.516 HG22 HG13 ' A' ' 47' ' ' VAL . 42.8 pt -124.91 163.0 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.84 100.16 12.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 166.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -77.43 9.57 3.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.972 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -98.19 -3.81 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.21 -64.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.06 148.94 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.934 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -99.62 159.88 14.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.16 -34.91 79.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 3.2 tmtp? -61.19 -40.27 93.28 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.815 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -53.52 -51.69 62.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.472 0.653 . . . . 0.0 110.353 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 63' ' ' ILE . 68.2 mt -65.79 -43.98 93.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.922 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 HG22 ' A' ' 70' ' ' VAL . 79.6 t -55.72 -47.29 79.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -47.17 78.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.465 HG21 HD21 ' A' ' 30' ' ' LEU . 86.6 t -65.12 -44.17 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.4 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.702 HG22 HG11 ' A' ' 70' ' ' VAL . 70.6 mt -62.77 -47.47 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.734 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 41.7 mt-10 -64.41 -30.88 71.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.717 0.294 . . . . 0.0 110.59 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.13 -18.22 64.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.5 -2.5 53.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.36 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.32 44.27 3.03 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.832 177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.565 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 66.0 m-85 -132.18 149.66 52.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.08 0.467 . . . . 0.0 111.362 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.511 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 20.0 m-20 -100.3 101.78 12.87 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.702 HG11 HG22 ' A' ' 63' ' ' ILE . 31.4 m -116.09 144.17 24.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.935 -176.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.732 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.941 0.4 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -132.48 145.96 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.113 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.12 104.1 2.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.687 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.4 ptp -90.71 144.0 26.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.562 0.696 . . . . 0.0 112.399 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -123.98 136.67 54.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.618 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -108.17 117.3 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.886 0.374 . . . . 0.0 110.103 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 tp -133.73 142.52 48.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.829 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -100.1 107.49 19.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.783 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.54 142.17 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.761 HE22 ' HG2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -96.4 144.8 26.21 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' HB ' ' HE2' ' A' ' 14' ' ' MET . 19.1 t -122.63 108.68 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.761 ' HG2' HE22 ' A' ' 10' ' ' GLN . 12.3 mm-40 -96.67 115.22 27.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 111.148 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.09 39.45 1.05 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.939 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 14.4 mmt -56.48 116.47 3.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.274 0.559 . . . . 0.0 111.411 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.471 ' H ' ' HB3' ' A' ' 19' ' ' CYS . 4.9 m -90.73 67.43 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.923 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m 55.63 -117.49 1.14 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.988 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.26 -2.25 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -73.24 -47.17 45.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.397 0.618 . . . . 0.0 110.18 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.538 ' O ' HG21 ' A' ' 23' ' ' ILE . 6.9 p -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.748 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.4 t -51.49 -63.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.229 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -72.17 -33.82 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.779 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.35 65.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.66 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.538 HG21 ' O ' ' A' ' 19' ' ' CYS . 18.3 tt -77.12 -34.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -56.64 -45.18 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.5 m -73.1 -42.14 63.3 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.492 ' OG ' ' HA ' ' A' ' 23' ' ' ILE . 32.8 p -59.48 -29.25 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.525 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.543 HG11 HG13 ' A' ' 33' ' ' VAL . 60.7 t -82.34 -49.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.67 172.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.761 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.51 -40.13 96.24 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.32 -26.95 67.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.74 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -61.85 129.86 42.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.348 178.357 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.548 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 43.4 t30 -65.83 129.58 40.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.966 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.06 43.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.409 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.599 HG23 HG21 ' A' ' 49' ' ' ILE . 70.9 t -81.24 118.72 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.347 0.594 . . . . 0.0 110.779 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.73 -51.16 8.98 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.483 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.53 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 28.1 pt20 -150.24 153.46 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.661 0.267 . . . . 0.0 110.649 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG13 ' HB2' ' A' ' 28' ' ' LYS . 5.0 p -146.15 128.18 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.657 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -128.86 108.18 10.23 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG23 HG23 ' A' ' 45' ' ' VAL . 7.4 p -84.4 131.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.303 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -108.79 116.12 31.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -80.75 -38.6 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.07 61.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.146 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.02 -29.01 55.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.816 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.06 33.98 22.28 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.759 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 10' ' ' GLN . 16.9 p -132.95 162.9 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.549 0.214 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.493 HG23 HG23 ' A' ' 38' ' ' VAL . 44.1 t -132.27 124.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.33 114.11 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 49' ' ' ILE . 44.4 t -124.21 140.93 46.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.139 0.495 . . . . 0.0 111.406 -175.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.53 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 31.4 m -122.14 121.0 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 171.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.1 pt -126.73 156.79 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 111.871 -175.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.54 103.19 14.83 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.4 p -73.18 -4.72 34.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.282 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -90.12 1.98 55.79 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.0 t -127.4 -64.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.422 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.548 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 12.4 p -110.05 152.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.09 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -102.63 164.59 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.6 mm? -68.01 -39.38 83.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -36.89 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.357 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 62' ' ' VAL . 10.6 m-20 -60.46 -42.37 96.07 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.556 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 49' ' ' ILE . 68.4 mt -66.96 -47.15 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.307 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 91.6 t -55.73 -45.01 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -45.7 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.127 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -63.95 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.953 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 59' ' ' ILE . 80.3 mt -62.34 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.391 . . . . 0.0 110.735 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.9 mt-10 -65.95 -30.4 70.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.87 -21.94 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.274 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.607 ' HB2' ' HD2' ' A' ' 68' ' ' TYR . 35.7 mt-30 -81.59 -6.75 59.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.36 30.52 6.55 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.322 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.607 ' HD2' ' HB2' ' A' ' 66' ' ' GLN . 97.3 m-85 -118.13 154.61 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 27.6 t70 -111.03 117.67 33.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.76 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.59 121.25 35.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 . . . . . 0 C--O 1.252 1.184 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.789 179.069 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.779 0.323 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -81.9 -63.74 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.182 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.477 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -111.43 107.84 17.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 0.0 110.441 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.687 ' HA ' ' HE3' ' A' ' 4' ' ' MET . 16.9 mmt -86.21 104.86 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.409 -174.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' HB2' ' CG1' ' A' ' 49' ' ' ILE . 9.9 mm-40 -101.54 107.24 18.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.951 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.04 0.448 . . . . 0.0 110.112 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -123.87 140.18 53.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.494 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -99.93 104.51 16.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.869 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 45' ' ' VAL . 4.6 mp -91.32 168.08 11.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -117.76 145.67 44.32 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.536 ' HB ' ' HE2' ' A' ' 14' ' ' MET . 10.9 t -106.06 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.653 -175.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -97.54 108.47 21.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.24 -98.96 0.27 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.536 ' HE2' ' HB ' ' A' ' 11' ' ' VAL . 50.8 mtt 61.15 -176.05 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.507 0.67 . . . . 0.0 112.536 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 t -151.01 -73.84 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.685 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.3 t -152.66 -74.36 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.553 0.216 . . . . 0.0 111.269 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.15 -45.47 0.21 Allowed Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.19 -176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -54.49 -36.47 64.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.004 0.43 . . . . 0.0 111.167 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.546 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.5 p -60.68 -28.55 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.252 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.13 -53.21 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.95 -37.97 87.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.233 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -56.3 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.585 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 19' ' ' CYS . 6.9 tp -65.78 -35.29 74.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 110.737 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.78 -55.69 24.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 16.4 p -71.1 -29.88 65.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.963 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 63' ' ' ILE . 41.5 t -53.56 -38.13 63.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.607 HG12 HG13 ' A' ' 47' ' ' VAL . 22.9 t -85.28 -47.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 172.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.601 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.2 tptt -61.94 -30.7 71.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.12 -19.82 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.23 0.538 . . . . 0.0 110.912 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 59' ' ' ILE . 4.4 mm? -69.27 127.45 33.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.976 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.56 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 64.2 t30 -68.48 112.83 5.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.617 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.34 -9.95 7.76 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.147 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.492 HG23 HG21 ' A' ' 49' ' ' ILE . 81.1 t -87.72 127.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.24 0.543 . . . . 0.0 111.487 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.44 -66.24 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.763 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.93 152.3 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.481 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.416 HG13 HG23 ' A' ' 47' ' ' VAL . 45.8 t -133.43 118.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.947 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -118.88 99.2 6.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.752 0.31 . . . . 0.0 110.299 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.546 HG22 HG23 ' A' ' 23' ' ' ILE . 3.5 p -84.36 119.33 33.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.577 0.703 . . . . 0.0 110.006 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.552 ' HB3' ' HB2' ' A' ' 42' ' ' GLU . 1.7 mm-40 -88.61 108.15 19.29 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.491 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.1 tm? -76.07 -28.83 57.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.118 0.485 . . . . 0.0 109.88 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.27 -35.33 55.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.927 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . 43.0 mt-10 -89.57 -32.98 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.444 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.62 33.26 13.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.567 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -133.69 177.98 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.885 0.374 . . . . 0.0 111.564 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.829 HG21 ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -139.53 107.62 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.917 -178.677 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -90.86 108.56 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.607 HG13 HG12 ' A' ' 27' ' ' VAL . 45.1 t -124.62 140.53 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -173.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -109.42 115.57 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.492 HG21 HG23 ' A' ' 33' ' ' VAL . 27.7 pt -115.49 161.56 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 111.178 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 60.3 t0 -101.27 103.82 14.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 29.2 t -78.44 2.4 18.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.9 m -89.84 -1.69 58.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 0.0 109.772 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.49 -58.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 13.5 p -114.87 146.17 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 p -107.38 164.85 11.84 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' HG21 ' A' ' 60' ' ' VAL . 55.2 tp -61.37 -40.21 93.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.335 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -62.24 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.229 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.56 -51.99 66.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.871 0.844 . . . . 0.0 109.448 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.595 HG12 ' HG ' ' A' ' 30' ' ' LEU . 60.1 mt -62.86 -48.4 88.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.56 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 70' ' ' VAL . 72.1 t -55.76 -44.56 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.887 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.91 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 61.9 t -73.02 -41.42 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 27' ' ' VAL . 71.0 mt -60.9 -49.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.613 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.1 mt-10 -66.43 -26.51 67.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.534 -177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.59 -24.69 66.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.332 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 79.3 mm-40 -84.19 -4.41 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.782 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.21 41.91 3.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.913 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 52.7 m-85 -136.7 139.96 42.33 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -100.61 94.4 6.09 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 60' ' ' VAL . 35.9 m -111.19 146.17 16.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.915 -172.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 11.3 mm-40 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.828 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.698 ' HA ' ' HB2' ' A' ' 52' ' ' SER . 1.1 p-10 -147.85 155.59 41.79 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.59 108.62 2.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.868 0.366 . . . . 0.0 110.566 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 81.9 mtp -83.41 134.74 34.87 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -130.4 147.6 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.312 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.809 ' HA ' HE21 ' A' ' 6' ' ' GLN . 0.0 OUTLIER -99.97 115.59 30.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.059 175.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -123.99 157.35 34.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.99 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.436 HG23 ' HB ' ' A' ' 44' ' ' THR . 12.3 m -128.01 105.44 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.958 0.409 . . . . 0.0 110.367 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD21 HG13 ' A' ' 70' ' ' VAL . 11.0 mp -82.95 143.62 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 69.5 mt-30 -95.51 133.41 39.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.437 ' HB ' ' HE1' ' A' ' 14' ' ' MET . 9.0 t -115.9 100.55 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.412 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.956 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 16.7 mm-40 -91.94 120.35 32.52 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.5 53.78 0.59 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.063 -177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.437 ' HE1' ' HB ' ' A' ' 11' ' ' VAL . 24.8 mtt -97.8 -85.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.545 0.212 . . . . 0.0 111.388 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t 67.63 -75.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.65 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.9 m -92.51 152.77 19.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 0.0 111.62 -173.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.496 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -71.82 -21.58 78.92 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.949 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -64.8 -32.65 74.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.811 0.305 . . . . 0.0 110.253 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' ' 23' ' ' ILE . 46.9 m -61.42 -41.91 97.9 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.102 0.477 . . . . 0.0 109.805 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 91.4 t -54.37 -51.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.416 176.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -63.37 -41.27 98.8 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.63 -56.69 18.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -64.23 -34.5 69.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.916 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -54.88 -53.73 51.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.917 0.389 . . . . 0.0 110.262 176.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.53 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.8 m -72.45 -30.65 64.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.205 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -56.6 -31.3 64.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.962 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.422 HG21 HD11 ' A' ' 63' ' ' ILE . 26.3 t -82.93 -53.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 171.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 21.2 ttmm -58.35 -39.95 80.9 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.3 -17.42 64.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.405 -176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.51 HD12 HD13 ' A' ' 59' ' ' ILE . 32.2 mt -74.76 165.08 25.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.643 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 27.9 t-20 -95.68 137.99 33.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.257 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.16 8.96 58.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.514 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 HG13 HG13 ' A' ' 27' ' ' VAL . 73.3 t -106.09 127.81 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 CA-C-O 121.246 0.545 . . . . 0.0 109.772 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.809 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 8.4 tp10 -96.41 -58.28 2.1 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.059 -177.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.809 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 97.2 mt-30 -138.63 154.85 48.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.453 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -147.22 107.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.328 0.585 . . . . 0.0 110.755 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -108.22 94.94 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 HG21 ' A' ' 45' ' ' VAL . 2.1 p -86.34 127.14 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.693 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -115.77 114.26 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.413 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.401 HD23 ' SD ' ' A' ' 14' ' ' MET . 0.7 OUTLIER -65.65 -46.99 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.48 . . . . 0.0 110.304 -176.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.28 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.797 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -79.38 -32.14 42.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.222 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.36 66.14 Favored Glycine 0 CA--C 1.506 -0.503 0 C-N-CA 120.153 -1.022 . . . . 0.0 110.98 -172.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' HB ' HG23 ' A' ' 8' ' ' THR . 40.3 p -141.99 166.51 24.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 -176.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.529 HG21 HG23 ' A' ' 38' ' ' VAL . 40.8 t -129.45 118.64 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.928 175.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -85.26 105.13 15.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 49' ' ' ILE . 17.3 t -109.7 139.85 31.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.35 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -109.87 103.24 12.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.091 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.502 HG22 HG13 ' A' ' 47' ' ' VAL . 42.8 pt -115.08 168.77 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' A' ' 2' ' ' ASN . 8.3 t70 -108.57 106.44 16.52 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 p -76.49 -4.04 40.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -170.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.698 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . 63.4 m -90.66 2.87 55.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.349 0.595 . . . . 0.0 109.955 173.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.7 t -125.41 -65.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.519 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 10.4 p -109.32 141.19 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.5 p -100.15 161.17 13.78 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.556 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.35 -32.58 70.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 2.8 tmtp? -64.22 -43.53 94.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.783 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.98 -44.95 96.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.069 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.51 HD13 HD12 ' A' ' 30' ' ' LEU . 43.9 mm -57.89 -56.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.081 176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.57 HG13 ' HG3' ' A' ' 64' ' ' GLU . 4.4 t -55.98 -42.05 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.552 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.38 75.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.711 0.291 . . . . 0.0 111.29 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -77.47 -50.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.232 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.527 ' CG2' HG23 ' A' ' 70' ' ' VAL . 1.4 mp -61.01 -46.18 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.987 -175.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.57 ' HG3' HG13 ' A' ' 60' ' ' VAL . 14.7 mt-10 -69.67 -28.83 66.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.382 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.69 -27.9 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.246 0.545 . . . . 0.0 110.448 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -76.37 2.59 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.147 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 31.31 8.15 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.557 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -119.96 145.85 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.719 0.295 . . . . 0.0 110.22 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.956 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 33.7 t70 -98.31 109.07 21.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG23 ' CG2' ' A' ' 63' ' ' ILE . 26.3 t -127.57 98.56 4.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.708 -174.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.066 177.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.637 ' HA ' ' HB2' ' A' ' 52' ' ' SER . 18.4 m120 71.3 132.71 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.877 0.736 . . . . 0.0 111.213 -177.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -147.43 120.47 8.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.919 -177.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.3 mmt -82.39 117.04 22.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -112.97 127.55 56.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.134 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.581 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 38.3 mt-30 -111.72 131.95 54.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.46 138.42 36.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -107.99 104.73 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -100.71 144.76 29.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -177.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.61 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 91.8 mt-30 -85.49 132.8 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.844 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.625 HG22 HG21 ' A' ' 45' ' ' VAL . 25.3 t -118.73 122.65 69.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 112.129 -172.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.92 138.7 52.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.76 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.41 -5.78 5.94 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.951 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.491 ' SD ' HD21 ' A' ' 40' ' ' LEU . 64.4 mtt -63.94 107.92 1.36 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 110.088 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 m -107.54 -35.26 6.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.15 -177.47 5.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.439 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.551 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -64.23 -36.11 92.81 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.745 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -63.11 -20.73 65.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.848 0.324 . . . . 0.0 111.79 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' ILE . 78.7 m -60.97 -35.88 77.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.856 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.623 ' HB ' HD23 ' A' ' 40' ' ' LEU . 3.4 p -65.6 -42.82 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.057 0.456 . . . . 0.0 109.954 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -70.02 -43.13 71.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.175 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB1' ' HH ' ' A' ' 68' ' ' TYR . . . -59.14 -51.96 67.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.438 -178.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG21 ' O ' ' A' ' 19' ' ' CYS . 12.2 tt -68.34 -34.78 67.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.731 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.27 -48.94 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -71.47 -31.41 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.119 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -53.81 -37.11 63.21 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG22 HD12 ' A' ' 63' ' ' ILE . 18.9 t -83.53 -55.66 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.931 173.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.27 -30.75 71.34 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -169.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.08 -14.77 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.991 0.424 . . . . 0.0 111.258 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD13 HD13 ' A' ' 59' ' ' ILE . 26.3 mt -79.11 137.16 37.37 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.758 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.11 121.42 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 7.38 17.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.777 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG21 HG22 ' A' ' 49' ' ' ILE . 76.2 t -103.87 114.58 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.577 0.703 . . . . 0.0 109.465 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.7 tp10 -82.44 -56.27 3.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.343 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 49.1 mt-30 -139.17 157.02 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.673 HG21 HG22 ' A' ' 47' ' ' VAL . 3.3 p -164.3 117.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.196 0.522 . . . . 0.0 110.815 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -118.93 112.93 20.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.3 0.571 . . . . 0.0 110.538 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 45' ' ' VAL . 2.1 p -90.05 125.05 42.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.518 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.54 99.06 10.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.956 -177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.623 HD23 ' HB ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -63.87 -43.77 95.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 109.85 -178.451 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.59 72.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.025 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -91.15 -33.14 15.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.084 0.468 . . . . 0.0 111.132 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.67 26.67 37.72 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.567 -175.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.437 HG21 ' HA ' ' A' ' 10' ' ' GLN . 9.4 p -136.26 163.33 30.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.655 0.264 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.625 HG21 HG22 ' A' ' 11' ' ' VAL . 48.2 t -134.19 126.98 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -101.63 115.64 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.673 HG22 HG21 ' A' ' 36' ' ' VAL . 21.8 t -116.44 142.04 31.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.419 -174.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 m -114.57 104.83 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.527 HG21 HG12 ' A' ' 47' ' ' VAL . 42.1 pt -115.45 166.52 9.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.085 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 12.1 t0 -103.63 103.07 12.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 p -72.34 -8.9 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.921 0.391 . . . . 0.0 111.449 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.637 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . 50.8 m -87.6 -8.68 55.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.462 0.648 . . . . 0.0 109.91 175.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.0 t -112.47 -64.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.236 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.97 148.68 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.5 p -92.45 158.95 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.201 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.45 -34.97 77.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -64.06 -38.98 93.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -55.13 -49.67 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.066 0.46 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.554 HD13 HD13 ' A' ' 30' ' ' LEU . 43.9 mm -55.93 -56.34 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.46 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.453 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -50.12 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.654 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 93.4 t -65.1 -43.71 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.239 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.602 HD12 HG22 ' A' ' 27' ' ' VAL . 78.5 mt -59.08 -51.06 77.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 111.09 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.15 -25.12 60.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.83 -28.56 69.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.005 0.431 . . . . 0.0 110.316 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 12.6 mm100 -75.29 -15.18 60.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 178.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.08 30.58 3.37 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.711 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.434 ' HH ' ' HB1' ' A' ' 22' ' ' ALA . 83.4 m-85 -113.97 159.49 19.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.282 . . . . 0.0 110.515 177.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -116.73 109.97 17.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 172.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 16.0 m -125.54 127.77 71.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.431 0.634 . . . . 0.0 111.861 -175.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.715 179.32 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.551 0.215 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -136.48 161.64 35.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.23 112.43 4.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.289 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.446 ' HE2' HG22 ' A' ' 48' ' ' THR . 81.7 mmm -85.34 117.67 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.002 0.43 . . . . 0.0 111.098 -171.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -112.22 108.15 17.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -100.61 103.48 14.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -124.5 156.31 37.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.5 -174.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -110.13 124.52 51.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.188 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.03 144.48 44.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.376 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HA ' HG21 ' A' ' 44' ' ' THR . 28.3 pt20 -85.45 141.02 30.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.339 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.591 ' HB ' ' HE2' ' A' ' 14' ' ' MET . 14.5 t -127.31 115.54 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.727 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.723 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 80.8 mm-40 -104.97 135.86 45.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.88 -24.87 8.18 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.414 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.591 ' HE2' ' HB ' ' A' ' 11' ' ' VAL . 25.4 ptt? -92.23 138.15 31.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.487 0.644 . . . . 0.0 111.294 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 p -147.66 -1.04 0.62 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.615 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -124.04 169.83 11.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.828 0.347 . . . . 0.0 111.66 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.4 93.46 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.647 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -58.51 -32.59 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.636 0.255 . . . . 0.0 110.942 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 23' ' ' ILE . 57.1 m -59.09 -46.92 87.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 ' HB ' ' A' ' 38' ' ' VAL . 51.3 t -54.93 -54.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -61.46 -37.38 83.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.95 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.591 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 38' ' ' VAL . 10.3 tt -77.95 -34.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.224 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.96 -50.38 70.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.892 0.377 . . . . 0.0 110.102 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.3 p -72.7 -30.11 63.95 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.107 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -53.83 -34.2 58.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.672 HG11 HG13 ' A' ' 33' ' ' VAL . 20.4 t -83.27 -51.14 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.934 173.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 18.5 tppt? -64.22 -30.81 71.85 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.89 -29.94 67.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.818 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD12 HD12 ' A' ' 59' ' ' ILE . 44.2 mt -77.16 151.83 35.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.044 -178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.55 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.9 m120 -87.22 127.73 35.16 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.63 12.05 23.67 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.672 HG13 HG11 ' A' ' 27' ' ' VAL . 54.9 t -106.42 114.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.26 0.552 . . . . 0.0 111.309 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.74 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 10.9 tp10 -87.92 -65.65 0.99 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.627 -178.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.74 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 81.4 mt-30 -122.17 141.86 51.01 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.054 -176.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.46 102.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.543 0.687 . . . . 0.0 110.135 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -109.3 100.18 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.639 ' HB ' HG13 ' A' ' 20' ' ' VAL . 57.8 t -82.22 115.49 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.95 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 14.5 mm-40 -95.99 98.42 10.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.978 0.418 . . . . 0.0 110.367 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.7 -39.67 94.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.798 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.28 71.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.702 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -97.62 -26.9 14.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.682 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.27 21.05 59.38 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.475 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.47 HG21 ' HA ' ' A' ' 10' ' ' GLN . 34.3 p -133.8 161.83 33.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.587 HG23 HG22 ' A' ' 11' ' ' VAL . 57.3 t -131.16 131.8 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.351 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -100.86 118.08 36.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 49' ' ' ILE . 61.6 t -122.31 133.42 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.446 HG22 ' HE2' ' A' ' 4' ' ' MET . 13.8 m -110.2 111.07 22.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.532 HG22 HG13 ' A' ' 47' ' ' VAL . 26.3 pt -114.59 168.34 6.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 0.0 111.288 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -101.59 101.64 12.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.356 168.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.6 t -75.94 0.13 19.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.139 -174.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -84.98 -9.22 58.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.341 0.591 . . . . 0.0 109.736 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.9 -67.72 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.504 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.7 p -100.2 150.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.326 -177.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -98.11 165.14 12.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.22 -32.93 72.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.856 0.36 . . . . 0.0 110.153 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -63.31 -40.22 96.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -54.78 -49.87 69.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.114 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.605 HD13 HG13 ' A' ' 27' ' ' VAL . 44.1 mm -54.46 -57.46 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.746 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.71 -45.33 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.369 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.11 80.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.514 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.409 HG23 HD23 ' A' ' 30' ' ' LEU . 87.3 t -68.02 -37.92 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.819 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.6 mt -60.79 -47.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.9 -28.32 68.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.714 0.292 . . . . 0.0 110.769 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.52 -23.78 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.244 0.545 . . . . 0.0 110.651 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.62 -14.49 59.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.212 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.47 37.42 1.93 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.109 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -125.63 154.31 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 110.405 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.723 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 32.7 t70 -106.86 109.16 20.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -128.75 112.22 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.158 0.504 . . . . 0.0 110.406 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.698 -178.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 8.1 ptp -94.86 124.63 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.519 0.676 . . . . 0.0 112.104 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.09 135.71 49.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.808 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -91.63 105.77 17.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.53 135.54 53.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -112.72 114.07 26.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.402 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 9' ' ' LEU . 6.5 mp -99.19 128.37 45.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.476 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -80.65 133.44 35.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 45' ' ' VAL . 12.3 t -121.21 118.26 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.668 -168.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 12.9 mm-40 -104.99 108.41 19.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.59 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -6.31 1.0 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.305 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 23' ' ' ILE . 61.4 mtm -93.63 90.27 6.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.282 0.541 . . . . 0.0 110.506 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -101.15 -14.95 17.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.656 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -125.08 162.5 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.989 0.423 . . . . 0.0 111.797 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.6 -33.47 67.25 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.694 -0.685 . . . . 0.0 113.226 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -65.02 -22.57 67.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.283 0.542 . . . . 0.0 110.671 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' HG22 ' A' ' 23' ' ' ILE . 60.8 m -63.96 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.161 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -50.29 -60.89 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.929 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.03 -40.56 94.05 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.991 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.62 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.187 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.8 tt -67.65 -37.92 79.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 11.6 pt-20 -61.05 -42.54 98.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.85 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 37.4 m -73.07 -34.93 66.53 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.185 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 m -53.64 -36.75 62.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.99 0.424 . . . . 0.0 110.087 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 59' ' ' ILE . 19.1 t -82.81 -49.26 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.375 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 4.2 tmtt? -58.15 -41.94 84.82 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 25' ' ' SER . 54.1 mt-10 -63.01 -24.42 67.91 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.942 0.401 . . . . 0.0 110.886 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.07 120.52 15.04 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 125.78 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 0.0 110.698 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.09 -22.07 9.9 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.0 t -80.53 130.88 35.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.03 0.443 . . . . 0.0 110.013 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -91.56 -68.73 0.78 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.508 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -136.88 149.8 47.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.706 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 HG13 ' A' ' 47' ' ' VAL . 33.6 m -127.69 132.26 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 110.334 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 84.8 mttt -114.33 92.91 4.12 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 p -87.82 111.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.409 0.623 . . . . 0.0 110.013 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -100.6 94.08 5.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.736 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.19 -48.95 77.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.951 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.36 62.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.958 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.79 -25.56 18.09 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.244 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 27.76 50.99 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.755 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.4 p -136.17 149.06 48.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.024 0.44 . . . . 0.0 111.699 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.727 HG23 HG21 ' A' ' 11' ' ' VAL . 60.9 t -123.71 112.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.785 174.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 37.5 tt0 -93.36 109.64 21.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.644 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.574 HG13 HG12 ' A' ' 36' ' ' VAL . 27.0 t -116.74 135.0 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.873 0.368 . . . . 0.0 111.501 -174.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 4' ' ' MET . 7.6 m -96.83 110.12 22.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.4 pt -115.74 146.94 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.901 0.381 . . . . 0.0 111.724 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -87.44 102.55 14.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 t -75.62 0.97 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.552 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.5 t -91.52 1.04 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.256 0.55 . . . . 0.0 109.78 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.0 t -131.48 -62.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.584 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.03 146.83 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.728 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.457 ' O ' HG12 ' A' ' 59' ' ' ILE . 21.8 p -97.32 168.91 10.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.748 0.309 . . . . 0.0 110.583 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.81 -37.14 73.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -64.43 -42.85 95.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.315 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.2 -47.69 68.7 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 HG13 ' A' ' 27' ' ' VAL . 46.0 mm -56.17 -55.69 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.522 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.492 HG13 HG23 ' A' ' 70' ' ' VAL . 88.3 t -60.27 -49.38 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -48.14 74.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.73 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 96.7 t -66.57 -44.45 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.908 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.454 HG21 HG11 ' A' ' 70' ' ' VAL . 62.6 mt -58.46 -48.78 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.281 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.595 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 31.3 mt-10 -68.02 -33.17 74.1 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.993 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.82 -31.66 72.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.059 0.456 . . . . 0.0 110.189 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 15.1 mm100 -74.58 -8.83 57.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.946 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.58 36.8 2.74 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.388 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 53.5 m-85 -128.52 148.71 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.965 0.383 . . . . 0.0 110.476 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 24.8 t70 -105.29 112.91 26.2 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.492 HG23 HG13 ' A' ' 60' ' ' VAL . 16.0 m . . . . . 0 C--N 1.32 -0.696 0 CA-C-O 120.972 0.415 . . . . 0.0 111.239 -175.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.8 ptm -90.17 128.42 36.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.636 0.732 . . . . 0.0 111.838 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 48' ' ' THR . 51.4 mm-40 -110.41 149.51 30.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 98.8 mt-30 -123.44 97.86 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.017 0.436 . . . . 0.0 110.296 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.61 HD22 HD12 ' A' ' 56' ' ' LEU . 50.9 tp -100.44 128.99 46.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.629 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -109.03 104.78 14.06 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.94 142.44 39.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 0.0 111.296 -176.221 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HA ' HG22 ' A' ' 44' ' ' THR . 46.2 mt-30 -81.33 138.46 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.109 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.803 HG21 HG23 ' A' ' 45' ' ' VAL . 56.9 t -113.15 115.57 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.946 0.403 . . . . 0.0 111.747 -173.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -96.63 109.92 22.45 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.24 -106.33 0.29 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.243 -0.503 . . . . 0.0 111.887 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.9 mmt 61.49 178.29 0.12 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.365 0.666 . . . . 0.0 112.376 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -174.34 -52.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.494 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -149.29 -169.49 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.354 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.72 -13.03 83.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.647 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -64.85 -50.48 66.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.569 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 25.4 p -64.64 -24.12 67.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.11 -49.14 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -68.74 -33.25 73.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.915 0.388 . . . . 0.0 110.255 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.33 -57.9 10.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.388 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG23 HG21 ' A' ' 38' ' ' VAL . 12.8 tt -63.75 -33.9 64.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.975 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.07 -53.63 40.02 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.646 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 24.7 m -71.81 -31.74 66.87 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.535 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -53.82 -37.77 63.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.961 0.41 . . . . 0.0 110.001 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 47' ' ' VAL . 19.4 t -83.21 -48.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.511 172.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.646 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 29.0 tptp -59.14 -37.78 78.08 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.47 -25.43 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.055 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.323 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.69 124.77 24.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.013 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.13 -15.47 33.26 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.918 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.429 HG22 HG22 ' A' ' 49' ' ' ILE . 87.3 t -81.41 125.89 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.18 0.514 . . . . 0.0 110.824 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.99 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 3.8 tp10 -89.52 -67.08 0.86 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.58 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.99 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 94.1 mt-30 -134.61 145.52 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.845 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 47' ' ' VAL . 38.3 t -129.13 123.29 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.037 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.783 ' HG3' ' HB3' ' A' ' 46' ' ' GLU . 14.5 ptmt -123.32 94.58 4.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.311 0.577 . . . . 0.0 110.449 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.795 HG13 HG22 ' A' ' 45' ' ' VAL . 54.2 t -87.33 130.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.816 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -109.22 123.13 48.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.394 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -45.78 15.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.125 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.57 -54.94 41.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.912 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.28 -31.13 63.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.702 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.96 40.82 29.37 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 10' ' ' GLN . 18.1 p -133.88 147.13 51.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.849 0.356 . . . . 0.0 110.228 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.803 HG23 HG21 ' A' ' 11' ' ' VAL . 95.1 t -115.54 121.05 66.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.028 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.783 ' HB3' ' HG3' ' A' ' 37' ' ' LYS . 27.9 tt0 -106.45 124.52 49.72 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 27' ' ' VAL . 43.0 t -126.42 135.91 62.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.954 0.407 . . . . 0.0 111.401 -175.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 18.0 m -104.9 112.64 25.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 26.6 pt -121.57 154.08 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.624 -175.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -88.71 98.68 11.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 m -78.8 3.02 17.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.657 -170.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.8 m -80.8 -11.2 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.172 0.511 . . . . 0.0 109.722 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -121.19 -63.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.588 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 51' ' ' SER . 12.3 p -102.18 141.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.4 p -97.07 172.22 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.76 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.61 HD12 HD22 ' A' ' 7' ' ' LEU . 3.6 mm? -70.25 -31.3 68.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.3 -43.07 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.003 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.33 -45.6 80.27 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.01 0.433 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.436 HD12 HG13 ' A' ' 27' ' ' VAL . 49.2 mm -58.8 -54.98 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.5 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.6 -43.67 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.6 89.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.543 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 95.0 t -75.11 -34.64 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.86 0.362 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.68 -49.54 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.45 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 32.1 mt-10 -66.17 -26.42 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.248 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.3 -24.8 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 73.2 mm-40 -80.71 -2.28 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.59 26.6 8.51 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.623 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 57.7 m-85 -114.85 149.44 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.44 100.98 9.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 171.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 11' ' ' VAL . 15.7 m . . . . . 0 C--N 1.318 -0.77 0 CA-C-O 121.364 0.602 . . . . 0.0 112.23 -171.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.945 0.403 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 52.3 mtt -83.18 109.21 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.253 0.549 . . . . 0.0 112.258 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -104.7 142.33 34.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.753 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -108.83 96.92 6.65 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 3.0 mm? -92.83 125.53 37.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 9.4 m -111.85 104.71 13.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.871 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.533 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -103.63 146.51 28.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.885 -176.212 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 97.8 mt-30 -76.29 131.61 39.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.52 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.72 HG21 HG23 ' A' ' 45' ' ' VAL . 23.2 t -113.77 107.48 23.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.803 0.335 . . . . 0.0 111.431 -175.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.889 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 61.1 mm-40 -88.97 118.64 28.83 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.62 25.52 1.41 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.564 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.513 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 19.4 mmt -73.51 112.08 9.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.367 . . . . 0.0 110.251 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.657 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 43.3 t -102.28 -76.85 0.57 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.507 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -141.24 -177.15 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.603 0.24 . . . . 0.0 111.277 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.17 -40.61 84.27 Favored Glycine 0 CA--C 1.521 0.452 0 CA-C-N 115.921 -0.582 . . . . 0.0 114.332 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -61.13 -27.52 68.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 117.418 0.609 . . . . 0.0 111.447 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 31.2 m -64.17 -28.48 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.14 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.649 HG13 HG13 ' A' ' 38' ' ' VAL . 73.0 t -58.67 -56.24 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.404 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -61.91 -39.86 93.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.378 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -62.21 1.81 Allowed 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.592 0.557 . . . . 0.0 111.117 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 19' ' ' CYS . 11.0 tt -67.58 -34.61 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.004 -177.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.88 -60.01 3.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.432 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.6 m -73.17 -30.79 63.81 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.837 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -53.61 -34.53 58.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.318 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.647 HG13 HD12 ' A' ' 59' ' ' ILE . 35.4 t -84.02 -48.17 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 33' ' ' VAL . 61.7 tttm -64.08 -31.56 72.8 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.76 -11.61 61.06 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 111.266 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.661 HD12 HD13 ' A' ' 59' ' ' ILE . 30.4 mt -78.0 172.37 13.6 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -85.04 153.05 22.98 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.29 17.51 66.22 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.065 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 28' ' ' LYS . 77.8 t -103.13 115.71 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-O 121.551 0.691 . . . . 0.0 110.021 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -87.24 -55.61 3.73 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.775 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.44 153.86 31.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.737 HG12 HG13 ' A' ' 47' ' ' VAL . 35.9 m -130.73 156.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.341 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -144.19 93.95 2.51 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.649 HG13 HG13 ' A' ' 20' ' ' VAL . 2.3 p -87.89 109.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.395 0.617 . . . . 0.0 109.742 175.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -91.23 102.39 15.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.755 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.87 -47.66 82.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.193 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.33 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 111.532 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -82.79 -22.95 34.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.513 ' HA2' ' HG3' ' A' ' 14' ' ' MET . . . 72.15 28.13 68.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.842 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -132.25 153.7 50.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 110.713 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 HG21 ' A' ' 11' ' ' VAL . 76.6 t -129.93 120.11 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.077 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.6 tt0 -99.59 126.33 45.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.737 HG13 HG12 ' A' ' 36' ' ' VAL . 39.3 t -123.56 128.68 74.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.566 178.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -96.61 103.19 15.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.661 HG23 HG12 ' A' ' 47' ' ' VAL . 23.3 pt -117.08 162.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.157 0.503 . . . . 0.0 111.404 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -91.21 107.26 19.08 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.929 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.3 p -76.07 0.67 17.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -94.4 -7.1 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.31 -54.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.623 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -109.39 152.24 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -95.19 156.85 16.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 57' ' ' LYS . 4.4 pp -68.06 -28.8 67.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.453 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.3 tmtt? -64.72 -37.1 86.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -56.42 -46.71 80.09 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.661 HD13 HD12 ' A' ' 30' ' ' LEU . 42.7 mm -55.43 -56.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.215 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.622 HG13 HG23 ' A' ' 70' ' ' VAL . 60.7 t -57.37 -45.52 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.362 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.26 81.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.494 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 76.4 t -73.21 -43.87 56.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.695 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.3 mt -58.12 -52.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.694 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 42.8 mt-10 -64.18 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.986 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.4 -25.9 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 33.0 mm-40 -77.0 -9.79 58.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.35 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 43.53 1.3 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 81.2 m-85 -136.45 150.97 48.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.389 . . . . 0.0 110.449 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.889 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 9.1 m-20 -108.17 102.14 11.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.566 173.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.622 HG23 HG13 ' A' ' 60' ' ' VAL . 29.9 m . . . . . 0 C--N 1.318 -0.801 0 CA-C-O 121.272 0.558 . . . . 0.0 110.89 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.9 mmm -84.3 121.15 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -126.83 138.15 53.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.728 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -107.84 109.74 21.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -111.62 142.13 44.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -104.0 109.89 21.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.68 145.09 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.761 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -96.61 126.63 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.634 HG21 HG23 ' A' ' 45' ' ' VAL . 13.9 t -115.33 110.54 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.528 -170.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 8.1 mm-40 -93.1 130.99 38.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.368 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.05 68.41 1.29 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.459 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.488 ' SD ' HD22 ' A' ' 40' ' ' LEU . 52.9 mtt -97.24 -167.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.669 -0.313 . . . . 0.0 110.428 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -125.6 -81.7 0.63 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.957 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 t -167.82 -74.23 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.219 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.57 -53.43 0.23 Allowed Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.87 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -67.07 -24.34 65.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.065 0.459 . . . . 0.0 111.183 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.606 ' O ' HG22 ' A' ' 23' ' ' ILE . 8.8 p -63.04 -23.92 67.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.773 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.43 -57.94 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.019 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.04 -33.56 76.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.9 -56.41 21.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.748 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 19' ' ' CYS . 6.9 tp -66.81 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.995 0.426 . . . . 0.0 110.626 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -51.5 -55.02 21.24 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.551 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 14.7 p -73.17 -33.41 65.42 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.227 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.6 p -56.43 -32.7 65.14 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.208 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.565 HG13 HD12 ' A' ' 59' ' ' ILE . 22.7 t -82.94 -45.96 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 172.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.62 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 56.7 tptt -64.03 -31.76 73.06 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.66 -24.9 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.395 0.616 . . . . 0.0 110.473 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD21 HG21 ' A' ' 62' ' ' VAL . 43.4 mt -74.3 147.93 41.86 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.667 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -82.5 127.12 33.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 2.56 32.29 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.646 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 49' ' ' ILE . 74.3 t -105.03 122.76 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.823 0.344 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 24.1 mm-40 -90.93 -67.99 0.82 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.812 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -124.74 141.32 52.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.582 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.66 98.01 4.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.84 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 45.0 mtmt -95.05 93.52 7.42 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.163 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.29 117.07 29.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.292 0.568 . . . . 0.0 110.485 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -96.5 93.36 6.75 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD22 ' SD ' ' A' ' 14' ' ' MET . 0.4 OUTLIER -62.71 -36.25 82.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.566 -173.583 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.29 -13.76 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.185 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.57 -35.7 4.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.963 0.411 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.84 28.43 13.98 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.391 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 p -130.15 151.78 50.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.672 0.272 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 HG21 ' A' ' 11' ' ' VAL . 69.3 t -129.82 120.89 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.848 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 52.6 mt-10 -94.16 118.81 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 27' ' ' VAL . 30.4 t -119.39 135.53 59.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.821 0.343 . . . . 0.0 111.439 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 34' ' ' GLU . 2.4 m -96.94 104.23 16.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.647 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.618 HG22 HG22 ' A' ' 33' ' ' VAL . 43.8 pt -115.55 151.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 111.252 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -90.02 99.85 12.79 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 169.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -72.5 -3.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.3 m -92.55 0.9 57.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.28 0.562 . . . . 0.0 109.873 174.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.58 -70.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.187 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -99.81 144.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -104.42 166.42 10.41 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.186 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.18 -37.79 81.28 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.807 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.544 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.3 -42.85 87.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.559 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -62.51 -42.51 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 110.031 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.565 HD12 HG13 ' A' ' 27' ' ' VAL . 35.7 mm -59.07 -51.58 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.597 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 t -54.0 -46.61 65.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.836 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.65 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.632 HG21 HD21 ' A' ' 30' ' ' LEU . 60.2 t -69.81 -45.42 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 49.5 mt -56.75 -51.57 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.647 0.261 . . . . 0.0 111.632 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 28.0 mt-10 -67.07 -31.41 71.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.983 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.52 -25.32 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.29 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 86.1 mm-40 -79.47 -12.23 59.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.208 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.86 25.26 4.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.112 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 96.4 m-85 -113.52 153.33 28.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 110.476 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 28.6 t70 -109.85 112.42 24.44 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG11 HG21 ' A' ' 63' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.318 -0.772 0 CA-C-O 121.289 0.566 . . . . 0.0 110.679 -174.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.899 0.381 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.7 mmm -87.92 114.46 24.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.104 -173.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -115.22 126.86 55.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.116 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -111.25 113.94 26.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.808 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.03 145.18 50.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.738 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m -105.33 113.08 26.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.103 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.61 146.85 27.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 -177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.758 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.2 pt20 -94.35 128.73 41.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 t -107.81 101.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.738 -174.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.87 117.07 29.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.2 34.7 0.93 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.49 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 mtt -78.62 138.27 38.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 111.585 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -92.74 3.48 55.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.984 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.1 t 70.02 139.69 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.634 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.19 -79.99 0.62 Allowed Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.548 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -58.35 -30.42 66.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.878 0.37 . . . . 0.0 111.233 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 23' ' ' ILE . 19.4 p -63.15 -27.23 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.8 -57.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.708 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -63.23 -38.91 93.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.964 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.75 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.839 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 19' ' ' CYS . 10.5 tp -69.48 -39.58 78.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.635 -176.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.6 -50.82 71.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.713 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.567 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 23.9 p -72.46 -32.34 66.17 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.432 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -53.32 -41.14 65.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.766 HG11 HG11 ' A' ' 47' ' ' VAL . 21.2 t -84.24 -43.6 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.288 174.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 40.3 ttmt -64.27 -32.73 74.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -173.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.6 mt-10 -67.34 -30.72 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.997 0.427 . . . . 0.0 110.45 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 62' ' ' VAL . 52.9 mt -62.33 138.99 58.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.045 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -78.11 120.64 23.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.12 15.6 8.34 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.471 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 49' ' ' ILE . 71.4 t -118.53 127.09 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 121.16 0.505 . . . . 0.0 109.885 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.87 -52.92 4.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.029 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -150.5 148.48 28.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.673 HG13 HG22 ' A' ' 47' ' ' VAL . 22.3 t -127.85 116.22 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.667 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -114.53 94.83 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -83.16 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -108.81 98.36 7.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.535 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.64 -44.04 97.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -44.43 63.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.2 -19.29 25.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.868 0.366 . . . . 0.0 111.552 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.33 44.47 13.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.459 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.758 HG22 ' HA ' ' A' ' 10' ' ' GLN . 1.4 p -145.25 161.55 39.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 38' ' ' VAL . 8.7 t -134.45 127.96 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -97.77 107.4 19.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.347 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.766 HG11 HG11 ' A' ' 27' ' ' VAL . 36.4 t -113.65 140.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.576 -172.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -113.04 110.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 33' ' ' VAL . 18.3 pt -115.54 167.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -100.44 104.46 15.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -74.28 1.09 12.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -93.07 -6.38 48.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.17 0.509 . . . . 0.0 110.243 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -122.52 -51.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.99 -177.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -111.81 151.46 13.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.1 p -104.14 161.34 14.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.295 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.26 -35.04 77.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.7 tmtm? -63.61 -39.58 94.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 62' ' ' VAL . 63.9 m-20 -56.12 -49.62 73.4 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.036 0.446 . . . . 0.0 109.919 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.611 HD12 HG13 ' A' ' 27' ' ' VAL . 41.7 mm -55.84 -57.37 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.298 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.6 HG13 HG23 ' A' ' 70' ' ' VAL . 74.2 t -56.6 -50.59 72.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.104 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.05 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.833 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 86.8 t -66.31 -37.63 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.721 0.295 . . . . 0.0 110.633 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.6 mt -65.85 -50.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.366 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.86 -29.23 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.06 -23.72 67.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.105 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 61.4 mm-40 -82.85 0.64 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.757 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.89 44.47 3.34 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.091 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' HB2' ' A' ' 66' ' ' GLN . 71.0 m-85 -131.78 157.93 42.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.686 0.279 . . . . 0.0 110.737 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -111.5 108.8 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.62 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.6 HG23 HG13 ' A' ' 60' ' ' VAL . 35.7 m . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.258 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.721 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -86.39 132.75 33.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.58 . . . . 0.0 111.453 -178.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' THR . 52.5 mm-40 -111.53 143.73 41.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.111 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -100.14 95.45 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.415 HD13 ' HG ' ' A' ' 56' ' ' LEU . 96.8 mt -109.59 121.66 45.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.096 -175.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 46' ' ' GLU . 90.1 m -98.99 104.72 16.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.949 178.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.542 HD11 ' HB ' ' A' ' 45' ' ' VAL . 1.5 pp -101.0 147.96 25.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.715 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -91.02 142.83 27.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.146 0.498 . . . . 0.0 110.78 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.673 HG21 HG23 ' A' ' 45' ' ' VAL . 17.6 t -118.54 121.18 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.6 -174.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -109.52 125.53 52.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.807 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.14 47.49 1.14 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.2 mmt -76.62 125.03 28.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.654 -0.321 . . . . 0.0 110.439 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 7.1 m -65.44 -69.2 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.541 -177.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p -164.38 -81.81 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.65 -53.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -61.47 -15.41 37.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 111.189 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.58 ' O ' HG22 ' A' ' 23' ' ' ILE . 7.4 p -60.25 -31.88 70.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.637 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG13 ' HB ' ' A' ' 38' ' ' VAL . 96.3 t -61.85 -50.38 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.53 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.79 -44.01 94.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.637 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -56.95 15.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.433 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.698 HG23 HG21 ' A' ' 38' ' ' VAL . 11.4 tt -67.14 -34.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.974 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.34 -53.96 49.65 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.444 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.405 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 8.1 p -72.06 -32.27 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.581 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -54.72 -36.93 65.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.127 0.489 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG13 HD12 ' A' ' 59' ' ' ILE . 58.3 t -83.08 -45.41 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.72 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 63.6 tttm -67.42 -31.5 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -171.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.01 -25.91 66.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 120.987 0.423 . . . . 0.0 110.646 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.31 133.44 54.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.58 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -67.22 114.43 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.65 -4.48 13.16 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.906 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 49' ' ' ILE . 70.7 t -94.85 115.11 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.55 0.691 . . . . 0.0 110.618 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.75 -56.11 4.78 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.058 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -149.96 155.77 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.612 HG23 HG22 ' A' ' 47' ' ' VAL . 3.2 p -148.4 116.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.606 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -108.2 107.55 18.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.617 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HG13 ' A' ' 20' ' ' VAL . 50.9 t -85.19 115.38 26.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.358 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -100.54 102.2 13.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.203 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -66.95 -48.0 69.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.357 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -29.95 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.255 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -93.93 -29.34 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.911 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.56 36.36 16.93 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.779 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -138.09 162.9 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.918 0.389 . . . . 0.0 110.644 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG23 HG21 ' A' ' 11' ' ' VAL . 97.3 t -133.62 117.35 26.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 8' ' ' THR . 19.4 mt-10 -94.49 108.74 20.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.658 HG12 HG23 ' A' ' 49' ' ' ILE . 6.1 t -112.55 136.56 48.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.974 -175.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 26.4 m -112.25 101.63 9.85 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.739 HG22 HG22 ' A' ' 33' ' ' VAL . 33.0 pt -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.013 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -74.2 99.44 3.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.5 p -76.04 8.01 3.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.468 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 m -90.16 -16.68 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.271 0.558 . . . . 0.0 109.737 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.92 -65.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.951 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -99.84 140.4 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -95.67 166.08 12.0 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HG ' HD13 ' A' ' 7' ' ' LEU . 3.1 tm? -63.78 -30.98 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -64.1 -43.82 94.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.81 -44.7 78.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.31 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.616 HD12 HG13 ' A' ' 27' ' ' VAL . 46.0 mm -57.97 -55.87 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.387 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG13 ' HB ' ' A' ' 70' ' ' VAL . 58.2 t -63.08 -41.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.034 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.8 78.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.021 0.439 . . . . 0.0 111.365 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.6 t -73.49 -45.79 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.7 mt -54.15 -51.71 44.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.56 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 52.1 mt-10 -63.9 -32.87 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.191 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.49 -24.88 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.0 110.838 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.59 -14.68 61.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.998 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.22 42.71 0.75 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.886 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 84.9 m-85 -137.59 162.04 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.91 128.15 47.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.522 ' HB ' HG13 ' A' ' 60' ' ' VAL . 62.2 t . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.992 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.516 0.198 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.2 mmm -82.73 113.05 20.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -114.34 142.23 46.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.707 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -116.48 113.19 22.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -115.14 168.59 9.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.832 0.348 . . . . 0.0 111.124 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.6 m -133.36 118.93 19.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.247 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -114.09 144.92 42.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.359 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.8 pt20 -77.69 141.82 39.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.435 ' HA ' HG12 ' A' ' 70' ' ' VAL . 2.1 p -117.97 102.86 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.609 0.718 . . . . 0.0 111.271 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 21.3 mm-40 -98.79 127.36 44.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.558 173.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.41 8.27 4.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.059 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.48 ' SD ' HD22 ' A' ' 40' ' ' LEU . 62.2 mtm -67.8 157.62 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.758 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 t -147.53 -72.64 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 0.0 110.458 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -121.43 -170.52 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.73 -20.73 68.57 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.841 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -73.55 -26.84 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.686 -0.302 . . . . 0.0 111.328 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.1 p -65.92 -26.35 67.56 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.764 HG13 ' HB ' ' A' ' 38' ' ' VAL . 91.1 t -58.54 -54.22 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.676 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.67 -41.43 81.55 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.56 -60.57 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.513 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.469 HG23 HG21 ' A' ' 38' ' ' VAL . 13.6 tt -70.7 -33.56 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.618 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 36' ' ' VAL . 36.0 tt0 -51.95 -55.63 19.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.476 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.555 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.3 m -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.63 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' HD23 ' A' ' 30' ' ' LEU . 68.4 m -55.73 -34.56 65.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.334 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 63' ' ' ILE . 15.1 t -84.25 -52.83 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.7 tptt -55.86 -41.37 74.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -62.58 -32.98 74.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.46 . . . . 0.0 111.104 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 1.6 mm? -55.94 130.01 42.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.305 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.531 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 13.7 t-20 -69.46 116.14 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.2 -9.71 11.04 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -90.62 134.33 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.431 177.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -99.47 -69.69 0.76 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.002 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -132.63 145.68 51.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.834 0.35 . . . . 0.0 111.439 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.539 HG12 HG13 ' A' ' 47' ' ' VAL . 22.0 m -134.99 137.0 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -129.23 95.79 4.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.125 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.764 ' HB ' HG13 ' A' ' 20' ' ' VAL . 47.1 t -78.41 122.89 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.06 177.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -104.92 105.73 15.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD22 ' SD ' ' A' ' 14' ' ' MET . 1.1 tm? -65.3 -40.29 93.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.771 -175.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.24 83.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.255 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.23 -26.72 23.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.74 28.09 48.14 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.069 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -133.47 162.07 32.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG22 HG13 ' A' ' 38' ' ' VAL . 48.8 t -127.98 125.81 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -92.72 130.81 38.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.539 HG13 HG12 ' A' ' 36' ' ' VAL . 52.9 t -133.59 130.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.389 . . . . 0.0 111.509 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -99.21 109.53 22.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.197 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.533 HG23 HG12 ' A' ' 47' ' ' VAL . 35.6 pt -115.81 168.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.146 0.498 . . . . 0.0 110.955 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 12.3 t0 -103.9 101.81 11.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.5 t -77.56 4.11 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.296 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 m -98.04 -3.27 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.207 0.527 . . . . 0.0 109.976 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.8 t -120.7 -64.41 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.479 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.6 p -102.06 154.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.004 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -100.27 164.77 11.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 pp -75.32 -30.16 60.23 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.899 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.8 tmtm? -68.08 -43.88 77.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.21 -48.84 75.64 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.677 HG21 HG13 ' A' ' 27' ' ' VAL . 55.6 mt -58.95 -54.44 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.482 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.589 HG13 HG23 ' A' ' 70' ' ' VAL . 50.5 t -55.57 -42.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.95 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.785 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 30' ' ' LEU . 77.8 t -66.5 -43.32 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 27' ' ' VAL . 64.6 mt -62.92 -47.29 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.582 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 35.6 mt-10 -68.7 -25.27 64.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.682 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.44 -20.17 65.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -79.71 -10.4 59.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.427 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.28 2.74 33.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.343 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.56 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 98.7 m-85 -91.27 158.03 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 0.0 110.949 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 4.7 m-20 -116.74 104.88 11.79 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 171.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 60' ' ' VAL . 34.0 m . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.558 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.347 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.3 mmm -86.72 97.0 10.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.515 -174.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -101.64 130.4 47.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.517 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -98.83 108.23 20.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.61 145.46 42.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.812 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.1 m -109.94 104.94 13.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.936 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.33 136.48 32.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.249 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.631 ' HA ' HG22 ' A' ' 44' ' ' THR . 16.0 pt20 -92.15 118.73 31.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.42 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.549 ' HA ' HG22 ' A' ' 70' ' ' VAL . 13.5 t -108.6 100.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.179 -175.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -98.59 116.11 30.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.507 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.91 42.88 0.76 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.846 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -58.58 149.88 24.48 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.043 0.449 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 t -82.08 -74.99 0.32 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.189 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.63 -90.32 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.92 -54.51 0.07 OUTLIER Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.122 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -61.03 -22.32 64.44 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.24 0.543 . . . . 0.0 110.638 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.2 p -61.45 -24.48 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.972 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG13 HG13 ' A' ' 38' ' ' VAL . 75.1 t -56.98 -56.96 11.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 O-C-N 123.198 0.311 . . . . 0.0 110.7 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -69.44 -32.22 71.03 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.645 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -56.42 22.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.18 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.7 tt -68.43 -34.6 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.715 0.293 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.33 -52.82 60.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 46.2 m -72.4 -30.34 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.47 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.595 ' HB3' HG12 ' A' ' 62' ' ' VAL . 73.4 m -53.58 -37.77 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 59' ' ' ILE . 46.9 t -83.34 -51.79 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.046 173.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 24.7 ttmm -58.4 -40.05 81.37 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.84 -22.77 67.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 111.567 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 59' ' ' ILE . 16.4 mt -71.4 132.95 45.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.475 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 26.8 t-20 -72.93 127.61 33.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.021 0.438 . . . . 0.0 111.16 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.65 0.61 27.56 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.433 HG11 HG12 ' A' ' 27' ' ' VAL . 77.0 t -95.33 122.51 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.294 0.568 . . . . 0.0 110.867 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -67.42 0.76 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -136.03 148.71 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.647 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' HB ' ' A' ' 27' ' ' VAL . 2.6 p -138.88 114.58 9.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.152 0.501 . . . . 0.0 110.364 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -116.88 101.41 8.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.34 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 45' ' ' VAL . 3.9 p -85.5 117.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.347 0.594 . . . . 0.0 110.408 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.2 101.1 13.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.4 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 40' ' ' LEU . 1.4 tm? -63.26 -41.35 99.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.979 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.01 -52.14 66.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.556 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.8 -34.84 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.38 . . . . 0.0 111.377 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.37 35.81 11.61 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.127 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 10' ' ' GLN . 21.7 p -139.91 160.27 40.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 HG23 ' A' ' 38' ' ' VAL . 33.6 t -128.44 120.43 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.745 0.307 . . . . 0.0 110.29 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.71 112.39 24.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.577 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.71 128.26 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.337 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -96.02 111.7 23.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.5 pt -114.85 152.69 16.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.04 95.66 10.41 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.0 t -74.74 -3.27 30.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.228 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.7 m -84.68 -13.69 50.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.173 0.511 . . . . 0.0 109.906 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -117.99 -62.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.136 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.5 p -101.96 148.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.99 158.1 15.73 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.84 -29.22 69.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -59.09 -40.62 85.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.54 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 62' ' ' VAL . 51.1 m-20 -56.03 -49.67 73.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.127 0.489 . . . . 0.0 110.032 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.768 HD12 HG13 ' A' ' 27' ' ' VAL . 36.8 mm -58.22 -52.07 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.284 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.07 -47.4 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.117 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.0 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.69 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.595 HG12 ' HB3' ' A' ' 26' ' ' SER . 47.4 t -65.93 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.881 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.8 -47.26 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.973 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.21 -26.57 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.592 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.63 -26.11 68.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.973 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -73.43 -9.96 59.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.25 27.82 6.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -116.15 160.16 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -114.19 117.62 31.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 11' ' ' VAL . 87.1 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.402 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 89.6 mmm -87.41 101.96 14.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.664 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.53 113.87 25.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.235 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -101.5 115.54 30.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.83 146.59 49.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 111.136 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -110.79 104.53 13.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.104 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.33 141.38 28.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.5 pt20 -83.24 146.55 28.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 172.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.35 111.73 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.55 0.69 . . . . 0.0 111.431 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.807 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 5.7 mm-40 -87.19 111.93 21.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.638 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.37 -110.77 0.46 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.837 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.424 ' HE1' ' HA2' ' A' ' 43' ' ' GLY . 58.5 mtt 62.54 -170.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.289 0.636 . . . . 0.0 112.077 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 p -158.66 -73.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.774 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.2 t -153.83 -56.41 0.11 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.913 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -141.14 -33.69 0.12 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.318 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -63.42 -49.35 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.062 0.431 . . . . 0.0 110.949 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 23' ' ' ILE . 96.8 m -63.6 -24.49 67.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.691 0.281 . . . . 0.0 111.23 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 76.7 t -61.71 -58.04 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.52 -23.62 60.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.723 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -57.31 12.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.471 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.4 tt -67.96 -34.58 67.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.647 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 40.2 tt0 -53.27 -52.62 58.45 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.299 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 p -73.46 -30.71 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.904 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 30' ' ' LEU . 71.3 m -53.35 -40.83 65.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.501 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.617 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 5.7 p -83.88 -43.96 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.031 0.443 . . . . 0.0 111.163 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 7.6 tmtm? -57.46 -39.96 77.45 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.276 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.88 -23.79 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 3.9 mm? -62.42 129.53 41.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.358 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.533 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 51.3 t30 -71.46 111.43 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.602 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.94 18.03 4.83 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.045 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.72 122.55 59.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.113 0.483 . . . . 0.0 110.569 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.8 -66.61 0.82 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.729 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -138.04 152.56 48.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.665 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.18 122.04 55.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.271 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 9.1 mtpm? -114.68 94.23 4.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.25 124.36 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.251 0.548 . . . . 0.0 110.013 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -106.01 95.79 6.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.355 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 20' ' ' VAL . 3.0 tm? -63.33 -35.79 81.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.706 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.78 55.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.56 -21.42 14.73 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' HA2' ' HE1' ' A' ' 14' ' ' MET . . . 73.74 30.36 61.89 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.728 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' GLN . 22.8 p -134.64 165.8 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -134.92 124.81 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.226 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 43.9 mt-10 -98.4 115.83 29.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.864 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -126.91 128.89 71.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.825 0.345 . . . . 0.0 111.429 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.5 m -101.96 118.19 36.39 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 4' ' ' MET . 18.6 pt -115.65 160.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.518 . . . . 0.0 112.034 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -93.56 103.71 15.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 168.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 t -77.78 -0.03 25.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.019 0.438 . . . . 0.0 111.374 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.5 m -91.25 -13.1 33.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.085 0.469 . . . . 0.0 110.066 175.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.42 -58.65 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.276 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.533 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 9.7 p -105.08 156.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.2 p -108.06 160.99 15.36 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.1 tp -69.1 -36.14 77.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.893 0.377 . . . . 0.0 110.288 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -42.62 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 62' ' ' VAL . 19.2 m-20 -58.09 -41.64 83.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.052 0.453 . . . . 0.0 110.273 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.69 -51.49 61.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.777 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 71.6 t -55.93 -43.21 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.572 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.66 -54.76 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.078 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 HD21 ' A' ' 30' ' ' LEU . 93.3 t -60.01 -44.02 93.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.585 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG21 HG11 ' A' ' 70' ' ' VAL . 72.7 mt -64.22 -50.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.6 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 38.7 mt-10 -66.41 -30.77 71.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.457 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.51 -21.96 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.767 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.2 mm-40 -84.73 2.94 39.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.797 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.32 44.29 4.39 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -129.81 154.63 47.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.807 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 35.4 t70 -113.84 100.39 8.4 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 17.9 m . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 120.896 0.379 . . . . 0.0 111.706 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.56 ' N ' ' HG ' ' A' ' 52' ' ' SER . . . . . . . . 0 C--O 1.235 0.296 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.5 mmm -82.54 122.55 28.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -119.97 144.87 47.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -114.78 116.82 29.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.2 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.781 ' HG ' HD12 ' A' ' 56' ' ' LEU . 3.0 mm? -121.5 162.03 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -118.86 113.92 21.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.075 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 9' ' ' LEU . 6.8 mp -100.64 133.91 44.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.136 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.601 ' HA ' HG22 ' A' ' 44' ' ' THR . 14.2 pt20 -90.81 127.54 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 110.221 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.526 ' HA ' HG22 ' A' ' 70' ' ' VAL . 10.8 t -113.3 106.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 43.4 mt-10 -94.73 123.86 38.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.282 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.03 40.96 2.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.023 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.504 ' SD ' ' HA2' ' A' ' 43' ' ' GLY . 50.9 mtt -77.96 124.74 28.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.899 0.35 . . . . 0.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -76.73 -2.06 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.624 ' HA ' HD21 ' A' ' 40' ' ' LEU . 42.1 t 72.33 164.78 0.29 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.363 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.62 -105.7 0.89 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.754 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.88 -12.94 60.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 110.916 -175.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 23' ' ' ILE . 46.4 t -54.0 -35.17 61.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.498 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 HG13 ' A' ' 38' ' ' VAL . 69.9 t -57.45 -63.44 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.264 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.44 -37.41 75.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.113 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -60.06 4.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.212 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -67.87 -34.45 67.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 45.1 tt0 -55.27 -46.34 76.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.144 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 26.2 m -72.53 -34.74 67.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.292 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 m -54.38 -32.45 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.652 HG13 HD12 ' A' ' 59' ' ' ILE . 13.7 t -83.38 -55.28 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.614 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 20.4 ttmm -57.37 -38.38 74.13 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.89 -19.1 64.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.141 0.496 . . . . 0.0 111.086 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 62' ' ' VAL . 36.4 mt -78.08 148.18 34.35 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.248 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 29.6 t30 -78.41 128.69 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.296 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.29 13.78 27.77 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.417 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 27' ' ' VAL . 86.4 t -104.55 136.52 37.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 O-C-N 122.637 -0.331 . . . . 0.0 110.538 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.725 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.8 tp10 -101.59 -69.14 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.514 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.725 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 72.5 mt-30 -143.45 149.17 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.189 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.686 HG12 HG13 ' A' ' 47' ' ' VAL . 27.0 m -130.1 137.81 55.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.25 0.548 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 44.6 mtpt -117.34 91.45 3.58 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG23 HG22 ' A' ' 45' ' ' VAL . 2.7 p -88.12 115.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 0.0 110.56 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -96.82 103.65 15.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.654 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 16' ' ' CYS . 2.2 tm? -63.26 -48.02 79.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.002 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.24 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.672 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -82.76 -34.75 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.721 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.504 ' HA2' ' SD ' ' A' ' 14' ' ' MET . . . 82.34 31.18 31.64 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.387 -176.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 10' ' ' GLN . 22.9 p -139.57 154.75 47.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.683 0.278 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 38' ' ' VAL . 22.9 t -127.26 121.28 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.893 0.378 . . . . 0.0 110.764 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.718 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 41.1 mt-10 -88.26 110.87 21.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.371 174.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.686 HG13 HG12 ' A' ' 36' ' ' VAL . 22.6 t -116.33 136.73 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.062 0.458 . . . . 0.0 112.016 -173.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 m -103.39 114.59 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.446 HG23 HG12 ' A' ' 47' ' ' VAL . 43.0 pt -121.75 156.31 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.06 97.99 7.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.399 167.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.8 p -68.33 -9.93 51.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.224 0.535 . . . . 0.0 111.044 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.56 ' HG ' ' N ' ' A' ' 3' ' ' ALA . 7.2 m -87.61 -5.77 58.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.577 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -125.39 -64.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.1 p -106.25 138.55 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 p -94.28 165.39 12.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.735 -0.386 . . . . 0.0 109.991 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.781 HD12 ' HG ' ' A' ' 7' ' ' LEU . 10.1 tt -61.68 -40.49 95.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.401 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.588 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.2 tmtm? -66.97 -31.26 71.71 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.696 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.89 -51.93 65.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.238 0.542 . . . . 0.0 109.822 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.652 HD12 HG13 ' A' ' 27' ' ' VAL . 38.2 mm -54.81 -51.63 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.109 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG13 ' HB ' ' A' ' 70' ' ' VAL . 89.7 t -58.66 -45.47 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.457 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.53 -43.52 84.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.517 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.615 HG21 HD21 ' A' ' 30' ' ' LEU . 61.8 t -70.53 -36.47 66.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.514 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 68' ' ' TYR . 72.8 mt -66.55 -39.82 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 45.7 mt-10 -71.77 -39.06 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.874 0.369 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.06 -19.96 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.493 0.663 . . . . 0.0 109.993 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.26 -1.85 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.734 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.39 16.05 25.92 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.621 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 83.1 m-85 -108.46 157.4 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 0.0 111.214 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.662 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 13.2 m-20 -110.19 106.7 16.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 176.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.67 ' HB ' HG13 ' A' ' 60' ' ' VAL . 97.6 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.396 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.445 ' HE3' ' HG3' ' A' ' 34' ' ' GLU . 12.2 ptm -103.79 118.82 37.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.494 0.664 . . . . 0.0 111.477 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 150.11 22.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.991 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -101.08 120.35 40.08 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -126.85 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.531 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' HG2' ' A' ' 46' ' ' GLU . 28.9 m -116.22 104.68 11.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.842 177.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.11 135.07 34.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.671 0.272 . . . . 0.0 111.191 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 68.1 mm-40 -88.69 113.59 24.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.661 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.624 HG21 HG23 ' A' ' 45' ' ' VAL . 15.4 t -111.56 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.53 128.98 48.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.136 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 29.85 1.38 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.508 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 mmt -65.7 126.51 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.691 0.281 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.624 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t -93.29 -77.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.431 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -142.88 -173.97 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.707 0.289 . . . . 0.0 111.127 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.25 -38.03 91.44 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 113.466 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.384 -0.48 . . . . 0.0 110.145 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 63.8 m -65.06 -26.88 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.431 178.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG22 HD23 ' A' ' 40' ' ' LEU . 59.3 t -62.73 -48.05 89.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.275 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -65.07 -42.09 94.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.928 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.32 -55.65 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.654 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 19' ' ' CYS . 9.8 tt -63.48 -37.58 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 120.633 0.254 . . . . 0.0 110.7 -177.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.47 -57.23 11.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 p -72.42 -30.05 64.28 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.786 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.75 HG13 HD12 ' A' ' 59' ' ' ILE . 61.4 t -82.46 -45.05 19.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -42.56 98.11 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.929 -175.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.74 -21.79 66.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.638 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 59' ' ' ILE . 18.2 mt -67.21 143.34 56.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.896 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.25 131.48 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.232 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.54 -11.65 54.02 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.869 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG22 HG22 ' A' ' 49' ' ' ILE . 66.1 t -85.48 121.79 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' HG3' ' HE3' ' A' ' 4' ' ' MET . 60.1 mm-40 -86.79 -68.96 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.612 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -132.9 138.68 47.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.844 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 47' ' ' VAL . 2.9 p -133.34 126.57 52.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -125.46 109.45 12.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.484 0.659 . . . . 0.0 110.297 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.557 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -85.84 125.91 40.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.063 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -104.87 93.37 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.761 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD23 HG22 ' A' ' 20' ' ' VAL . 3.1 tm? -62.82 -36.82 84.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.109 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.25 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.347 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -105.74 -31.52 8.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.92 35.9 6.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.135 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 10' ' ' GLN . 5.0 p -135.48 159.93 40.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.143 0.497 . . . . 0.0 111.677 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.624 HG23 HG21 ' A' ' 11' ' ' VAL . 59.5 t -134.44 114.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.67 175.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 8' ' ' THR . 30.6 mt-10 -96.29 123.19 39.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.923 0.392 . . . . 0.0 109.95 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.672 HG22 HG23 ' A' ' 36' ' ' VAL . 8.8 t -130.13 143.36 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.996 -174.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -102.18 107.3 18.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.435 HG22 HG22 ' A' ' 33' ' ' VAL . 31.1 pt -115.44 147.24 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 0.0 111.002 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -83.9 102.75 12.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 p -73.66 -4.29 33.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.486 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -85.28 -6.26 59.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.281 0.562 . . . . 0.0 109.497 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -127.15 -66.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.524 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -98.13 137.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.9 p -99.65 -175.96 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.231 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 mp -71.29 -44.29 65.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -52.47 -38.29 59.05 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.928 0.768 . . . . 0.0 111.56 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.93 -52.44 65.2 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.198 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.768 HD13 HD12 ' A' ' 30' ' ' LEU . 25.4 mm -65.27 -48.45 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.218 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 56' ' ' LEU . 49.7 t -56.97 -54.71 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.085 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.99 95.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.809 -176.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.596 HG11 HD11 ' A' ' 30' ' ' LEU . 8.5 p -64.94 -31.85 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.578 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.534 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 67.4 mt -70.82 -55.86 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.087 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 50.4 mt-10 -59.26 -34.33 72.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.957 -173.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.34 -25.79 67.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.713 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.534 ' NE2' ' HA ' ' A' ' 63' ' ' ILE . 42.7 mt-30 -74.66 -9.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.761 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.55 35.93 1.66 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.97 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.503 ' OH ' ' HB3' ' A' ' 19' ' ' CYS . 76.3 m-85 -125.65 171.91 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.023 0.44 . . . . 0.0 110.618 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.35 121.43 21.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.487 174.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 25.3 t . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.799 0.333 . . . . 0.0 110.236 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 85.9 mmm -76.83 119.39 20.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.676 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' THR . 61.9 mm-40 -105.1 111.17 23.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.657 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.79 104.01 16.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.8 mt -119.47 135.11 54.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.82 0.343 . . . . 0.0 111.328 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.0 m -105.01 104.94 14.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.038 173.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.4 mp -93.42 127.19 38.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.554 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.2 pt20 -82.47 127.42 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.0 105.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.362 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -92.0 112.94 25.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.653 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 33.81 0.98 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.821 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 mmt -65.66 138.51 58.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.584 0.231 . . . . 0.0 110.57 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 48.2 t -88.47 -86.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.425 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -149.52 -74.38 0.17 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.809 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.28 -47.66 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.425 -0.893 . . . . 0.0 113.349 -177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -68.3 -15.76 63.69 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.104 0.478 . . . . 0.0 110.571 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.597 ' O ' HG22 ' A' ' 23' ' ' ILE . 7.2 p -62.55 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.461 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' A' ' 38' ' ' VAL . 75.1 t -63.84 -54.8 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.21 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -50.41 -49.36 54.87 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.799 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -63.23 1.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.587 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.667 HG23 HG21 ' A' ' 38' ' ' VAL . 9.8 tt -64.12 -37.59 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -174.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -54.68 -55.77 26.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.456 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 p -72.39 -30.34 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.485 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -53.51 -36.52 61.82 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.94 -47.02 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.131 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -63.55 -31.77 73.04 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.05 -25.34 65.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.034 0.445 . . . . 0.0 110.757 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.14 141.37 58.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.179 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.532 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 33.7 t30 -77.47 121.26 23.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.812 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.88 8.9 21.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.583 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.536 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -104.38 114.22 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-O 121.737 0.78 . . . . 0.0 110.033 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 48' ' ' THR . 8.3 tp10 -76.41 -48.9 18.2 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.424 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.488 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 3.9 pt20 -156.85 161.93 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 47' ' ' VAL . 3.5 p -159.6 116.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 37' ' ' LYS . 3.2 mppt? -118.85 116.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.428 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' A' ' 20' ' ' VAL . 40.2 t -93.97 114.62 30.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.108 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -95.61 110.82 22.87 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.352 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.53 -39.9 80.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.359 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.991 0.425 . . . . 0.0 110.793 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -79.41 -34.29 41.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.058 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.61 21.42 66.58 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 10' ' ' GLN . 46.9 p -132.0 161.33 33.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.447 -0.377 . . . . 0.0 110.454 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.624 HG22 HG13 ' A' ' 38' ' ' VAL . 42.4 t -126.1 122.98 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -92.63 110.25 21.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 36' ' ' VAL . 25.3 t -117.04 138.15 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.773 -176.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.488 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 18.0 m -119.92 108.81 14.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.536 HG22 HG22 ' A' ' 33' ' ' VAL . 38.0 pt -115.95 170.86 5.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -103.14 106.29 16.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 52.0 p -72.3 -7.46 49.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.017 0.437 . . . . 0.0 111.079 -175.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -89.58 2.13 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.411 0.624 . . . . 0.0 109.802 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -126.95 -61.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.99 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 51' ' ' SER . 13.7 p -112.75 136.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -81.69 156.69 24.92 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.497 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -68.75 -31.87 71.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.849 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 4.2 tmtt? -68.4 -34.27 75.72 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 62' ' ' VAL . 2.9 m-20 -60.23 -43.89 95.66 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 49' ' ' ILE . 46.3 mm -56.65 -53.78 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 43.1 t -61.31 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.169 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -47.94 80.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.428 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 94.2 t -59.78 -46.23 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.9 -48.2 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.955 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 46.0 mt-10 -63.44 -42.51 98.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.17 -26.95 69.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 87.7 mm-40 -76.67 3.81 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.631 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.84 27.69 6.22 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.647 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 89.9 m-85 -124.08 164.45 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.664 -0.315 . . . . 0.0 110.231 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -129.74 115.31 17.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 121.049 0.452 . . . . 0.0 111.121 -174.283 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 29.0 mmt -83.04 94.41 7.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 111.188 -177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 118.08 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.375 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -93.24 106.08 18.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 56' ' ' LEU . 10.8 mp -93.26 152.55 19.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.044 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.438 HG23 ' HG2' ' A' ' 46' ' ' GLU . 3.4 m -134.87 103.87 5.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.414 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.503 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 1.1 pp -114.75 145.1 42.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.603 0.24 . . . . 0.0 111.414 -176.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HA ' HG22 ' A' ' 44' ' ' THR . 49.2 mt-30 -82.96 146.47 28.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 70' ' ' VAL . 20.2 t -116.01 106.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -175.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 69' ' ' ASP . 12.2 tp10 -96.95 110.19 22.77 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.26 32.29 0.27 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.983 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.9 mmt -81.99 95.61 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 p -91.69 -31.29 15.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.765 0.317 . . . . 0.0 111.428 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 18' ' ' HIS . 14.2 p -161.53 179.2 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.7 -18.79 74.33 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.283 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 62.6 m170 -62.67 -27.71 69.42 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.556 0.217 . . . . 0.0 110.583 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' ILE . 65.7 m -56.95 -35.49 69.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.429 HG13 ' CG1' ' A' ' 38' ' ' VAL . 74.7 t -48.76 -61.3 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.344 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.79 -37.18 84.07 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.93 -58.21 9.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.815 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' CYS . 19.1 tt -69.96 -34.33 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.037 -177.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.508 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 5.4 tm-20 -56.71 -49.8 74.09 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 12.0 p -72.6 -30.77 64.64 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.679 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.566 ' O ' HD23 ' A' ' 30' ' ' LEU . 62.3 m -56.25 -35.63 67.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 17.6 t -84.2 -44.83 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 173.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 4.4 tppp? -63.37 -36.25 83.08 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -173.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.37 -19.91 65.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.182 0.515 . . . . 0.0 110.81 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.658 HD21 HG21 ' A' ' 62' ' ' VAL . 3.7 mm? -69.52 123.34 21.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.127 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.487 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 32.2 t30 -65.43 114.64 4.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.212 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.1 -9.29 8.45 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.17 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 49' ' ' ILE . 78.0 t -86.81 133.59 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -89.89 -67.4 0.85 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.016 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -133.79 145.93 50.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 47' ' ' VAL . 20.1 t -127.06 100.29 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.663 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -98.38 94.05 6.53 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.058 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.429 ' CG1' HG13 ' A' ' 20' ' ' VAL . 3.3 p -80.95 119.94 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.393 0.616 . . . . 0.0 110.391 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CB ' ' HB2' ' A' ' 42' ' ' GLU . 16.2 mm-40 -94.69 96.64 9.53 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.637 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.89 -48.83 80.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.951 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -33.78 61.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.838 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 27.7 mm-40 -81.81 -21.31 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.681 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.18 23.58 68.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.126 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 10' ' ' GLN . 11.0 p -137.52 168.69 19.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.59 HG12 HG23 ' A' ' 47' ' ' VAL . 95.0 t -133.78 127.81 52.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.085 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' HG2' HG23 ' A' ' 8' ' ' THR . 39.5 mt-10 -108.18 114.99 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.904 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 45' ' ' VAL . 48.7 t -127.7 132.52 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.755 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.4 m -95.21 112.66 24.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.441 HG22 HG22 ' A' ' 33' ' ' VAL . 30.5 pt -115.62 157.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.901 0.382 . . . . 0.0 110.923 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 45.2 t0 -93.66 96.56 9.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 t -73.64 -4.96 37.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 -174.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -83.56 -8.31 59.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.69 -69.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.224 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 14.0 p -95.16 144.42 9.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -101.06 161.18 13.78 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.104 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.505 ' HB3' HD21 ' A' ' 7' ' ' LEU . 3.6 pp -61.66 -30.78 70.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.0 tmtt? -67.39 -42.88 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.239 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -53.14 -51.96 60.28 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.636 0.731 . . . . 0.0 109.653 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.437 ' O ' HG13 ' A' ' 63' ' ' ILE . 72.8 mt -63.14 -52.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.371 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.31 -40.37 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.819 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.23 80.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 30' ' ' LEU . 95.1 t -67.23 -44.15 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.414 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.588 HD11 HG22 ' A' ' 27' ' ' VAL . 82.7 mt -60.01 -48.79 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.026 0.441 . . . . 0.0 111.414 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.62 -24.74 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.877 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.38 -20.1 64.67 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.161 0.505 . . . . 0.0 110.472 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -79.09 -21.21 47.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.897 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 35.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -127.17 156.05 42.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 11.9 m-20 -115.23 102.49 9.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 11' ' ' VAL . 34.7 m . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.64 -171.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.743 0.306 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.64 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 51.8 mtt -87.83 121.71 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.147 0.499 . . . . 0.0 111.634 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -106.0 127.16 52.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.902 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -101.08 100.03 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.32 140.88 45.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -105.31 111.02 23.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.52 126.34 45.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.446 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.5 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -82.37 123.65 29.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.113 0.483 . . . . 0.0 109.993 176.1 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 p -122.82 131.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.771 -172.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.2 147.04 45.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.259 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.7 -14.99 9.78 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.514 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.539 ' HB2' ' CB ' ' A' ' 19' ' ' CYS . 25.0 ptt? -106.82 142.53 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 m -143.28 3.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -141.51 169.8 16.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 111.581 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.72 -25.76 73.96 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -56.84 -43.56 81.24 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.539 ' CB ' ' HB2' ' A' ' 14' ' ' MET . 61.0 m -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.381 176.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 HG13 ' A' ' 38' ' ' VAL . 96.5 t -48.47 -53.3 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.533 0.521 . . . . 0.0 111.015 177.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.68 -50.44 73.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -58.67 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.843 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.0 tt -64.26 -34.97 72.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.972 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.41 -52.64 63.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.313 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 50.2 m -72.53 -34.47 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.503 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -52.93 -40.17 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.534 HG11 HG21 ' A' ' 47' ' ' VAL . 32.2 t -82.86 -41.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.227 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -71.6 -33.21 68.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.2 mt-10 -62.91 -31.04 72.02 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.196 0.522 . . . . 0.0 110.331 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 62' ' ' VAL . 42.8 mt -55.51 138.01 47.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.651 -176.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.22 120.71 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.504 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.6 -1.55 24.79 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 49' ' ' ILE . 78.0 t -101.46 125.21 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.482 0.658 . . . . 0.0 110.15 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.74 -64.25 1.18 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.737 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 11.0 pt20 -138.83 144.89 39.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.916 0.389 . . . . 0.0 111.098 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.748 HG22 HG13 ' A' ' 47' ' ' VAL . 65.0 t -133.84 119.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.991 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -125.89 96.15 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.834 0.826 . . . . 0.0 110.074 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.795 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -84.3 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.246 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.3 112.78 22.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.92 0.39 . . . . 0.0 110.663 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.9 tm? -71.54 -34.74 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.625 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.98 87.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.663 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.32 -25.23 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.72 0.295 . . . . 0.0 111.66 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.0 40.35 30.39 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.104 -1.046 . . . . 0.0 110.941 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' GLN . 14.3 p -134.58 146.86 50.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 0.0 110.883 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.795 HG22 HG23 ' A' ' 38' ' ' VAL . 21.3 t -119.41 110.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.726 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -97.11 115.27 27.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.748 HG13 HG22 ' A' ' 36' ' ' VAL . 39.1 t -120.21 143.24 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.021 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.43 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 33.6 m -112.07 107.29 16.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.908 174.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.648 HG22 HG22 ' A' ' 33' ' ' VAL . 34.2 pt -115.84 163.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.036 -176.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -95.86 109.51 21.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 170.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.7 p -74.9 -0.48 18.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.66 -173.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -89.92 -11.37 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 109.98 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.62 -68.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.609 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -100.13 144.13 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.0 p -109.09 173.73 6.19 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.108 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 56' ' ' LEU . 7.0 mp -66.55 -36.17 82.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.644 -176.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -58.3 -42.42 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.195 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.49 -42.08 95.58 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.006 0.432 . . . . 0.0 110.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.471 HD12 HG13 ' A' ' 27' ' ' VAL . 48.1 mm -66.87 -46.48 85.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.35 -47.57 92.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.26 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.388 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 30' ' ' LEU . 15.0 p -65.28 -42.58 94.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.586 0.232 . . . . 0.0 111.323 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.97 -49.77 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.375 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 70' ' ' VAL . 22.5 mt-10 -72.89 -25.83 61.22 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.842 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.87 -32.02 73.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 85.3 mm-40 -71.05 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.36 9.41 21.78 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.907 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 61.3 m-85 -96.07 156.35 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.01 0.405 . . . . 0.0 111.371 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.64 112.28 24.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.849 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 11' ' ' VAL . 14.2 m . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.576 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.3 ptp -97.84 143.92 27.96 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.138 0.495 . . . . 0.0 111.669 -173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.99 125.1 50.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.389 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 48' ' ' THR . 75.0 mt-30 -105.62 100.4 9.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.07 142.33 49.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 44' ' ' THR . 29.1 m -105.8 104.7 14.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.682 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.78 140.05 39.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.61 -175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 42.9 mt-30 -83.68 127.52 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.745 HG21 HG23 ' A' ' 45' ' ' VAL . 38.8 t -119.28 114.55 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.894 0.378 . . . . 0.0 111.672 -173.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 54.9 mt-10 -111.41 134.88 52.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.29 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.58 20.28 3.93 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.274 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 64.3 mtt -77.2 157.95 30.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.631 0.253 . . . . 0.0 110.446 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 t -124.86 -73.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.389 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.02 -163.35 1.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.99 -29.94 69.01 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.628 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -62.87 -40.0 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.582 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 21.4 p -66.76 -23.42 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.411 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.91 -55.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.16 -28.69 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.488 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.07 61.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.6 tt -69.24 -33.82 59.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.45 -52.4 59.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 6.3 p -72.47 -32.48 66.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.463 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 30' ' ' LEU . 66.6 m -55.44 -34.99 64.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.76 0.314 . . . . 0.0 110.38 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 27.3 t -83.64 -43.01 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -65.02 -40.11 94.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.314 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.8 -24.87 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.522 . . . . 0.0 110.663 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 2.2 mm? -64.39 130.01 42.13 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.067 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -71.58 132.0 44.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.04 -2.21 44.35 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.964 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.442 HG11 HG12 ' A' ' 27' ' ' VAL . 80.5 t -95.47 124.71 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 121.294 0.569 . . . . 0.0 110.671 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 6.8 tp10 -91.16 -63.39 1.27 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.462 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.584 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 86.1 mt-30 -122.35 142.23 50.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.77 0.319 . . . . 0.0 111.463 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -133.77 103.41 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.709 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 37.1 ttpt -110.19 96.12 6.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG13 HG22 ' A' ' 45' ' ' VAL . 59.8 t -77.06 117.16 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.997 0.427 . . . . 0.0 110.01 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -100.18 95.15 6.62 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 40' ' ' LEU . 3.1 tm? -69.02 -32.54 72.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.882 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.99 -15.32 63.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.831 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -118.3 -30.53 5.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.745 0.307 . . . . 0.0 111.159 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.97 39.58 8.52 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.517 ' HB ' HG22 ' A' ' 8' ' ' THR . 69.5 p -138.61 166.14 25.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.745 HG23 HG21 ' A' ' 11' ' ' VAL . 72.3 t -134.28 116.79 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.222 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 37' ' ' LYS . 33.3 tt0 -86.28 112.78 21.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.628 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG12 HG23 ' A' ' 49' ' ' ILE . 42.1 t -120.71 130.22 74.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 111.364 -176.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 6' ' ' GLN . 33.0 m -109.33 120.98 44.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.536 HG23 HG12 ' A' ' 47' ' ' VAL . 42.8 pt -124.91 163.0 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.84 100.16 12.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 166.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -77.43 9.57 3.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.972 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -98.19 -3.81 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.21 -64.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.06 148.94 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.934 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -99.62 159.88 14.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.16 -34.91 79.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 3.2 tmtp? -61.19 -40.27 93.28 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.815 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -53.52 -51.69 62.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.472 0.653 . . . . 0.0 110.353 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 63' ' ' ILE . 68.2 mt -65.79 -43.98 93.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.922 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.477 HG13 HG23 ' A' ' 70' ' ' VAL . 79.6 t -55.72 -47.29 79.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -47.17 78.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 30' ' ' LEU . 86.6 t -65.12 -44.17 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.4 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.699 HG21 HG11 ' A' ' 70' ' ' VAL . 70.6 mt -62.77 -47.47 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.734 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 70' ' ' VAL . 41.7 mt-10 -64.41 -30.88 71.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.717 0.294 . . . . 0.0 110.59 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.13 -18.22 64.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.5 -2.5 53.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.36 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.32 44.27 3.03 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.832 177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.582 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 66.0 m-85 -132.18 149.66 52.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.08 0.467 . . . . 0.0 111.362 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 20.0 m-20 -100.3 101.78 12.87 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.699 HG11 HG21 ' A' ' 63' ' ' ILE . 31.4 m . . . . . 0 C--N 1.321 -0.663 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.935 -176.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.22 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.4 ptp -90.71 144.0 26.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.562 0.696 . . . . 0.0 112.399 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -123.98 136.67 54.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.618 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.439 ' HG2' HG23 ' A' ' 48' ' ' THR . 33.4 mt-30 -108.17 117.3 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.886 0.374 . . . . 0.0 110.103 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 tp -133.73 142.52 48.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.829 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -100.1 107.49 19.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.783 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.54 142.17 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.488 ' HA ' HG22 ' A' ' 44' ' ' THR . 5.1 pp0? -96.4 144.8 26.21 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -122.63 108.68 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -172.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 12.3 mm-40 -96.67 115.22 27.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 111.148 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.09 39.45 1.05 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.939 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 14.4 mmt -56.48 116.47 3.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.274 0.559 . . . . 0.0 111.411 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 19' ' ' CYS . 4.9 m -90.73 67.43 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.923 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m 55.63 -117.49 1.14 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.988 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.26 -2.25 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -73.24 -47.17 45.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.397 0.618 . . . . 0.0 110.18 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.555 ' O ' HG22 ' A' ' 23' ' ' ILE . 6.9 p -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.748 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.4 t -51.49 -63.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.229 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -72.17 -33.82 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.779 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.35 65.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.66 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.3 tt -77.12 -34.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -56.64 -45.18 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.5 m -73.1 -42.14 63.3 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' HD23 ' A' ' 30' ' ' LEU . 32.8 p -59.48 -29.25 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.525 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.554 HG12 HG11 ' A' ' 33' ' ' VAL . 60.7 t -82.34 -49.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.67 172.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.769 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.51 -40.13 96.24 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.797 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.32 -26.95 67.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.74 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -61.85 129.86 42.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.348 178.357 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.551 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 43.4 t30 -65.83 129.58 40.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.966 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.06 43.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.409 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.587 HG22 HG22 ' A' ' 49' ' ' ILE . 70.9 t -81.24 118.72 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.347 0.594 . . . . 0.0 110.779 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.73 -51.16 8.98 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.483 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 28.1 pt20 -150.24 153.46 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.661 0.267 . . . . 0.0 110.649 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.444 HG11 ' HB2' ' A' ' 28' ' ' LYS . 5.0 p -146.15 128.18 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.657 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -128.86 108.18 10.23 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 45' ' ' VAL . 7.4 p -84.4 131.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.303 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -108.79 116.12 31.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -80.75 -38.6 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.07 61.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.146 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.02 -29.01 55.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.816 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.06 33.98 22.28 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.759 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 10' ' ' GLN . 16.9 p -132.95 162.9 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.549 0.214 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 38' ' ' VAL . 44.1 t -132.27 124.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.33 114.11 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG12 HG23 ' A' ' 49' ' ' ILE . 44.4 t -124.21 140.93 46.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.139 0.495 . . . . 0.0 111.406 -175.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 31.4 m -122.14 121.0 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 171.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.1 pt -126.73 156.79 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 111.871 -175.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.54 103.19 14.83 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.4 p -73.18 -4.72 34.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.282 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -90.12 1.98 55.79 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.0 t -127.4 -64.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.422 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 12.4 p -110.05 152.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.09 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -102.63 164.59 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.6 mm? -68.01 -39.38 83.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -36.89 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.357 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 62' ' ' VAL . 10.6 m-20 -60.46 -42.37 96.07 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.556 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 49' ' ' ILE . 68.4 mt -66.96 -47.15 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.307 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 91.6 t -55.73 -45.01 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -45.7 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.127 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -63.95 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.953 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 59' ' ' ILE . 80.3 mt -62.34 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.391 . . . . 0.0 110.735 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.9 mt-10 -65.95 -30.4 70.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.87 -21.94 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.274 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.625 ' HB2' ' HD2' ' A' ' 68' ' ' TYR . 35.7 mt-30 -81.59 -6.75 59.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.36 30.52 6.55 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.322 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.625 ' HD2' ' HB2' ' A' ' 66' ' ' GLN . 97.3 m-85 -118.13 154.61 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 27.6 t70 -111.03 117.67 33.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.76 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 -176.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.866 0.365 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.9 mmt -86.21 104.86 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.409 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 9.9 mm-40 -101.54 107.24 18.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.951 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.04 0.448 . . . . 0.0 110.112 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -123.87 140.18 53.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.494 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -99.93 104.51 16.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.869 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.811 ' HB2' HG23 ' A' ' 45' ' ' VAL . 4.6 mp -91.32 168.08 11.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -117.76 145.67 44.32 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 45' ' ' VAL . 10.9 t -106.06 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.653 -175.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -97.54 108.47 21.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.24 -98.96 0.27 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 mtt 61.15 -176.05 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.507 0.67 . . . . 0.0 112.536 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 t -151.01 -73.84 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.685 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.3 t -152.66 -74.36 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.553 0.216 . . . . 0.0 111.269 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.15 -45.47 0.21 Allowed Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.19 -176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -54.49 -36.47 64.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.004 0.43 . . . . 0.0 111.167 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.5 p -60.68 -28.55 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.252 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 HG13 ' A' ' 38' ' ' VAL . 93.1 t -63.13 -53.21 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.95 -37.97 87.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.233 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -56.3 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.585 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG21 HG21 ' A' ' 38' ' ' VAL . 6.9 tp -65.78 -35.29 74.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 110.737 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.78 -55.69 24.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 16.4 p -71.1 -29.88 65.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.963 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 63' ' ' ILE . 41.5 t -53.56 -38.13 63.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG11 HG11 ' A' ' 47' ' ' VAL . 22.9 t -85.28 -47.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 172.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.628 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.2 tptt -61.94 -30.7 71.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.12 -19.82 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.23 0.538 . . . . 0.0 110.912 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.633 ' HG ' HG12 ' A' ' 59' ' ' ILE . 4.4 mm? -69.27 127.45 33.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.976 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.569 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 64.2 t30 -68.48 112.83 5.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.617 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.34 -9.95 7.76 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.147 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.521 HG22 HG22 ' A' ' 49' ' ' ILE . 81.1 t -87.72 127.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.24 0.543 . . . . 0.0 111.487 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.44 -66.24 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.763 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.93 152.3 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.481 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 47' ' ' VAL . 45.8 t -133.43 118.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.947 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -118.88 99.2 6.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.752 0.31 . . . . 0.0 110.299 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 23' ' ' ILE . 3.5 p -84.36 119.33 33.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.577 0.703 . . . . 0.0 110.006 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.567 ' HB3' ' HB2' ' A' ' 42' ' ' GLU . 1.7 mm-40 -88.61 108.15 19.29 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.491 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.1 tm? -76.07 -28.83 57.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.118 0.485 . . . . 0.0 109.88 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.27 -35.33 55.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.927 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . 43.0 mt-10 -89.57 -32.98 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.444 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.62 33.26 13.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.567 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -133.69 177.98 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.885 0.374 . . . . 0.0 111.564 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.811 HG23 ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -139.53 107.62 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.917 -178.677 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -90.86 108.56 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.623 HG11 HG11 ' A' ' 27' ' ' VAL . 45.1 t -124.62 140.53 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -173.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -109.42 115.57 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.521 HG22 HG22 ' A' ' 33' ' ' VAL . 27.7 pt -115.49 161.56 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 111.178 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 60.3 t0 -101.27 103.82 14.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 29.2 t -78.44 2.4 18.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.9 m -89.84 -1.69 58.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 0.0 109.772 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.49 -58.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.569 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 13.5 p -114.87 146.17 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 p -107.38 164.85 11.84 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 60' ' ' VAL . 55.2 tp -61.37 -40.21 93.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.335 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -62.24 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.229 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.56 -51.99 66.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.871 0.844 . . . . 0.0 109.448 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.633 HG12 ' HG ' ' A' ' 30' ' ' LEU . 60.1 mt -62.86 -48.4 88.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.56 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.528 HG13 HG23 ' A' ' 70' ' ' VAL . 72.1 t -55.76 -44.56 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.887 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.91 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 61.9 t -73.02 -41.42 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 27' ' ' VAL . 71.0 mt -60.9 -49.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.613 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.633 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.1 mt-10 -66.43 -26.51 67.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.534 -177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.59 -24.69 66.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.332 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 79.3 mm-40 -84.19 -4.41 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.782 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.21 41.91 3.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.913 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 52.7 m-85 -136.7 139.96 42.33 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -100.61 94.4 6.09 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.528 HG23 HG13 ' A' ' 60' ' ' VAL . 35.9 m . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.915 -172.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.868 0.366 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 81.9 mtp -83.41 134.74 34.87 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -130.4 147.6 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.312 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -99.97 115.59 30.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.059 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -123.99 157.35 34.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.99 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HB ' ' A' ' 44' ' ' THR . 12.3 m -128.01 105.44 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.958 0.409 . . . . 0.0 110.367 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.5 HD23 HG11 ' A' ' 70' ' ' VAL . 11.0 mp -82.95 143.62 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 69.5 mt-30 -95.51 133.41 39.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.442 ' CG2' HG23 ' A' ' 45' ' ' VAL . 9.0 t -115.9 100.55 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.412 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.977 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 16.7 mm-40 -91.94 120.35 32.52 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.5 53.78 0.59 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.063 -177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.8 mtt -97.8 -85.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.545 0.212 . . . . 0.0 111.388 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t 67.63 -75.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.65 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.9 m -92.51 152.77 19.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 0.0 111.62 -173.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -71.82 -21.58 78.92 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.949 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -64.8 -32.65 74.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.811 0.305 . . . . 0.0 110.253 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.41 ' O ' HG22 ' A' ' 23' ' ' ILE . 46.9 m -61.42 -41.91 97.9 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.102 0.477 . . . . 0.0 109.805 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 91.4 t -54.37 -51.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.416 176.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.37 -41.27 98.8 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.63 -56.69 18.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -64.23 -34.5 69.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.916 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB2' HG11 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -54.88 -53.73 51.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.917 0.389 . . . . 0.0 110.262 176.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.549 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.8 m -72.45 -30.65 64.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.205 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -56.6 -31.3 64.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.962 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.436 HG12 HG11 ' A' ' 33' ' ' VAL . 26.3 t -82.93 -53.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 171.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 21.2 ttmm -58.35 -39.95 80.9 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.3 -17.42 64.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.405 -176.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 59' ' ' ILE . 32.2 mt -74.76 165.08 25.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.643 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.462 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 27.9 t-20 -95.68 137.99 33.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.257 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.16 8.96 58.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.514 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG11 HG12 ' A' ' 27' ' ' VAL . 73.3 t -106.09 127.81 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 CA-C-O 121.246 0.545 . . . . 0.0 109.772 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.826 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 8.4 tp10 -96.41 -58.28 2.1 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.059 -177.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.826 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 97.2 mt-30 -138.63 154.85 48.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.453 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -147.22 107.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.328 0.585 . . . . 0.0 110.755 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -108.22 94.94 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.555 HG23 HG22 ' A' ' 45' ' ' VAL . 2.1 p -86.34 127.14 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.693 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -115.77 114.26 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.413 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.99 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.48 . . . . 0.0 110.304 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.28 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.797 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -79.38 -32.14 42.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.222 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.36 66.14 Favored Glycine 0 CA--C 1.506 -0.503 0 C-N-CA 120.153 -1.022 . . . . 0.0 110.98 -172.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.442 ' HB ' HG22 ' A' ' 8' ' ' THR . 40.3 p -141.99 166.51 24.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 -176.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 38' ' ' VAL . 40.8 t -129.45 118.64 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.928 175.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -85.26 105.13 15.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG12 HG23 ' A' ' 49' ' ' ILE . 17.3 t -109.7 139.85 31.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.35 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -109.87 103.24 12.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.091 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.507 HG23 HG12 ' A' ' 47' ' ' VAL . 42.8 pt -115.08 168.77 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -177.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -108.57 106.44 16.52 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 p -76.49 -4.04 40.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -170.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.4 m -90.66 2.87 55.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.349 0.595 . . . . 0.0 109.955 173.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.7 t -125.41 -65.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.519 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 10.4 p -109.32 141.19 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.5 p -100.15 161.17 13.78 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.556 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.35 -32.58 70.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 2.8 tmtp? -64.22 -43.53 94.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.783 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.98 -44.95 96.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.069 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.516 ' O ' HD13 ' A' ' 63' ' ' ILE . 43.9 mm -57.89 -56.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.081 176.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.571 HG13 ' HG3' ' A' ' 64' ' ' GLU . 4.4 t -55.98 -42.05 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.552 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.38 75.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.711 0.291 . . . . 0.0 111.29 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -77.47 -50.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.232 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 59' ' ' ILE . 1.4 mp -61.01 -46.18 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.987 -175.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' HG13 ' A' ' 60' ' ' VAL . 14.7 mt-10 -69.67 -28.83 66.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.382 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.69 -27.9 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.246 0.545 . . . . 0.0 110.448 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -76.37 2.59 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.147 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 31.31 8.15 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.557 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -119.96 145.85 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.719 0.295 . . . . 0.0 110.22 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.977 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 33.7 t70 -98.31 109.07 21.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 63' ' ' ILE . 26.3 t . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.708 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.687 0.28 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.3 mmt -82.39 117.04 22.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -112.97 127.55 56.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.134 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 38.3 mt-30 -111.72 131.95 54.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.46 138.42 36.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -107.99 104.73 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -100.71 144.76 29.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -177.371 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.606 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 91.8 mt-30 -85.49 132.8 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.844 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.672 HG21 HG23 ' A' ' 45' ' ' VAL . 25.3 t -118.73 122.65 69.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 112.129 -172.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.92 138.7 52.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.76 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.41 -5.78 5.94 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.951 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.516 ' SD ' HD22 ' A' ' 40' ' ' LEU . 64.4 mtt -63.94 107.92 1.36 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 110.088 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 m -107.54 -35.26 6.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.15 -177.47 5.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.439 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -64.23 -36.11 92.81 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.745 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -63.11 -20.73 65.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.848 0.324 . . . . 0.0 111.79 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.478 ' O ' HG22 ' A' ' 23' ' ' ILE . 78.7 m -60.97 -35.88 77.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.856 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.616 ' HB ' HD23 ' A' ' 40' ' ' LEU . 3.4 p -65.6 -42.82 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.057 0.456 . . . . 0.0 109.954 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -70.02 -43.13 71.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.175 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.96 67.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.438 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.2 tt -68.34 -34.78 67.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.731 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.27 -48.94 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -71.47 -31.41 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.119 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -53.81 -37.11 63.21 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.619 HG22 HD11 ' A' ' 63' ' ' ILE . 18.9 t -83.53 -55.66 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.931 173.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.27 -30.75 71.34 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -169.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.08 -14.77 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.991 0.424 . . . . 0.0 111.258 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.565 HD12 HD13 ' A' ' 59' ' ' ILE . 26.3 mt -79.11 137.16 37.37 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.758 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -73.11 121.42 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 7.38 17.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.777 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 49' ' ' ILE . 76.2 t -103.87 114.58 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.577 0.703 . . . . 0.0 109.465 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.506 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.7 tp10 -82.44 -56.27 3.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.343 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.506 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 49.1 mt-30 -139.17 157.02 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG23 HG22 ' A' ' 47' ' ' VAL . 3.3 p -164.3 117.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.196 0.522 . . . . 0.0 110.815 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -118.93 112.93 20.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.3 0.571 . . . . 0.0 110.538 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 20' ' ' VAL . 2.1 p -90.05 125.05 42.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.518 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.54 99.06 10.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.956 -177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.616 HD23 ' HB ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -63.87 -43.77 95.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 109.85 -178.451 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.59 72.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.025 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -91.15 -33.14 15.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.084 0.468 . . . . 0.0 111.132 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.447 ' HA2' ' HE3' ' A' ' 14' ' ' MET . . . 84.67 26.67 37.72 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.567 -175.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 10' ' ' GLN . 9.4 p -136.26 163.33 30.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.655 0.264 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.672 HG23 HG21 ' A' ' 11' ' ' VAL . 48.2 t -134.19 126.98 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -101.63 115.64 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.676 HG22 HG23 ' A' ' 36' ' ' VAL . 21.8 t -116.44 142.04 31.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.419 -174.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 m -114.57 104.83 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.546 HG23 HG12 ' A' ' 47' ' ' VAL . 42.1 pt -115.45 166.52 9.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.085 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 12.1 t0 -103.63 103.07 12.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 p -72.34 -8.9 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.921 0.391 . . . . 0.0 111.449 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -87.6 -8.68 55.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.462 0.648 . . . . 0.0 109.91 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.0 t -112.47 -64.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.236 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.97 148.68 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.5 p -92.45 158.95 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.201 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.45 -34.97 77.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -64.06 -38.98 93.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -55.13 -49.67 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.066 0.46 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.565 HD13 HD12 ' A' ' 30' ' ' LEU . 43.9 mm -55.93 -56.34 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.46 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.453 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -50.12 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.654 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 93.4 t -65.1 -43.71 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.239 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.619 HD11 HG22 ' A' ' 27' ' ' VAL . 78.5 mt -59.08 -51.06 77.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 111.09 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.15 -25.12 60.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.83 -28.56 69.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.005 0.431 . . . . 0.0 110.316 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 12.6 mm100 -75.29 -15.18 60.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 178.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.08 30.58 3.37 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.711 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -113.97 159.49 19.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.282 . . . . 0.0 110.515 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -116.73 109.97 17.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 172.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 16.0 m . . . . . 0 C--N 1.321 -0.672 0 CA-C-O 121.431 0.634 . . . . 0.0 111.861 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.7 mmm -85.34 117.67 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.002 0.43 . . . . 0.0 111.098 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 8.3 mm-40 -112.22 108.15 17.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 175.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -100.61 103.48 14.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -124.5 156.31 37.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.5 -174.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -110.13 124.52 51.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.188 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.03 144.48 44.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.376 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HA ' HG22 ' A' ' 44' ' ' THR . 28.3 pt20 -85.45 141.02 30.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.339 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.626 HG21 HG23 ' A' ' 45' ' ' VAL . 14.5 t -127.31 115.54 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.727 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.741 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 80.8 mm-40 -104.97 135.86 45.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.88 -24.87 8.18 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.414 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.558 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 25.4 ptt? -92.23 138.15 31.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.487 0.644 . . . . 0.0 111.294 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 p -147.66 -1.04 0.62 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.615 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -124.04 169.83 11.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.828 0.347 . . . . 0.0 111.66 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.4 93.46 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.647 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -58.51 -32.59 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.636 0.255 . . . . 0.0 110.942 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 14' ' ' MET . 57.1 m -59.09 -46.92 87.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' A' ' 38' ' ' VAL . 51.3 t -54.93 -54.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -61.46 -37.38 83.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.95 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.591 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.608 HG23 HG21 ' A' ' 38' ' ' VAL . 10.3 tt -77.95 -34.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.224 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.96 -50.38 70.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.892 0.377 . . . . 0.0 110.102 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.3 p -72.7 -30.11 63.95 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.107 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -53.83 -34.2 58.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.67 HG12 HG11 ' A' ' 33' ' ' VAL . 20.4 t -83.27 -51.14 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.934 173.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 18.5 tppt? -64.22 -30.81 71.85 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.89 -29.94 67.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.818 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.612 HD12 HD13 ' A' ' 59' ' ' ILE . 44.2 mt -77.16 151.83 35.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.044 -178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.557 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 72.0 m-20 -87.22 127.73 35.16 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.63 12.05 23.67 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.67 HG11 HG12 ' A' ' 27' ' ' VAL . 54.9 t -106.42 114.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.26 0.552 . . . . 0.0 111.309 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.776 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 10.9 tp10 -87.92 -65.65 0.99 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.627 -178.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.776 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 81.4 mt-30 -122.17 141.86 51.01 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.054 -176.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.46 102.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.543 0.687 . . . . 0.0 110.135 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -109.3 100.18 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 20' ' ' VAL . 57.8 t -82.22 115.49 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.95 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 14.5 mm-40 -95.99 98.42 10.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.978 0.418 . . . . 0.0 110.367 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.7 -39.67 94.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.798 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.28 71.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.702 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -97.62 -26.9 14.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.682 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.27 21.05 59.38 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.475 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 10' ' ' GLN . 34.3 p -133.8 161.83 33.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG23 HG21 ' A' ' 11' ' ' VAL . 57.3 t -131.16 131.8 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.351 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -100.86 118.08 36.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG12 HG23 ' A' ' 49' ' ' ILE . 61.6 t -122.31 133.42 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 m -110.2 111.07 22.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.53 HG23 HG12 ' A' ' 47' ' ' VAL . 26.3 pt -114.59 168.34 6.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 0.0 111.288 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -101.59 101.64 12.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.356 168.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.411 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 44.6 t -75.94 0.13 19.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.139 -174.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -84.98 -9.22 58.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.341 0.591 . . . . 0.0 109.736 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.9 -67.72 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.504 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.7 p -100.2 150.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.326 -177.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -98.11 165.14 12.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.22 -32.93 72.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.856 0.36 . . . . 0.0 110.153 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -63.31 -40.22 96.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -54.78 -49.87 69.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.114 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.624 HD12 HG13 ' A' ' 27' ' ' VAL . 44.1 mm -54.46 -57.46 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.746 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.71 -45.33 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.369 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.11 80.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.514 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.02 -37.92 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.819 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.6 mt -60.79 -47.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.9 -28.32 68.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.714 0.292 . . . . 0.0 110.769 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.52 -23.78 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.244 0.545 . . . . 0.0 110.651 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.62 -14.49 59.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.212 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.47 37.42 1.93 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.109 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -125.63 154.31 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 110.405 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 32.7 t70 -106.86 109.16 20.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 C--N 1.322 -0.594 0 CA-C-O 121.158 0.504 . . . . 0.0 110.406 -177.364 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.444 ' HA ' ' OD2' ' A' ' 50' ' ' ASP . 48.7 m . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.597 0.236 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -80.67 -53.1 6.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.27 96.31 3.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 8.1 ptp -94.86 124.63 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.519 0.676 . . . . 0.0 112.104 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.09 135.71 49.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.808 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -91.63 105.77 17.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.53 135.54 53.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -112.72 114.07 26.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.402 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.5 mp -99.19 128.37 45.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.476 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -80.65 133.44 35.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 45' ' ' VAL . 12.3 t -121.21 118.26 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.668 -168.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 12.9 mm-40 -104.99 108.41 19.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.59 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -6.31 1.0 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.305 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 23' ' ' ILE . 61.4 mtm -93.63 90.27 6.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.282 0.541 . . . . 0.0 110.506 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -101.15 -14.95 17.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.656 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -125.08 162.5 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.989 0.423 . . . . 0.0 111.797 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.6 -33.47 67.25 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.694 -0.685 . . . . 0.0 113.226 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -65.02 -22.57 67.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.283 0.542 . . . . 0.0 110.671 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' HG22 ' A' ' 23' ' ' ILE . 60.8 m -63.96 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.161 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -50.29 -60.89 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.929 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.03 -40.56 94.05 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.991 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.62 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.187 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.8 tt -67.65 -37.92 79.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 11.6 pt-20 -61.05 -42.54 98.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.85 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 37.4 m -73.07 -34.93 66.53 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.185 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 m -53.64 -36.75 62.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.99 0.424 . . . . 0.0 110.087 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 59' ' ' ILE . 19.1 t -82.81 -49.26 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.375 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 4.2 tmtt? -58.15 -41.94 84.82 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 25' ' ' SER . 54.1 mt-10 -63.01 -24.42 67.91 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.942 0.401 . . . . 0.0 110.886 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.07 120.52 15.04 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 125.78 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 0.0 110.698 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.09 -22.07 9.9 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.0 t -80.53 130.88 35.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.03 0.443 . . . . 0.0 110.013 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -91.56 -68.73 0.78 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.508 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -136.88 149.8 47.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.706 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 HG13 ' A' ' 47' ' ' VAL . 33.6 m -127.69 132.26 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 110.334 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 84.8 mttt -114.33 92.91 4.12 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 p -87.82 111.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.409 0.623 . . . . 0.0 110.013 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -100.6 94.08 5.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.736 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.19 -48.95 77.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.951 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.36 62.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.958 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.79 -25.56 18.09 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.244 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 27.76 50.99 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.755 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.4 p -136.17 149.06 48.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.024 0.44 . . . . 0.0 111.699 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.727 HG23 HG21 ' A' ' 11' ' ' VAL . 60.9 t -123.71 112.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.785 174.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 37.5 tt0 -93.36 109.64 21.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.644 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.574 HG13 HG12 ' A' ' 36' ' ' VAL . 27.0 t -116.74 135.0 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.873 0.368 . . . . 0.0 111.501 -174.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 4' ' ' MET . 7.6 m -96.83 110.12 22.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.4 pt -115.74 146.94 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.901 0.381 . . . . 0.0 111.724 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 1' ' ' SER . 62.8 t0 -87.44 102.55 14.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 t -75.62 0.97 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.552 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.5 t -91.52 1.04 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.256 0.55 . . . . 0.0 109.78 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.0 t -131.48 -62.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.584 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.03 146.83 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.728 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.457 ' O ' HG12 ' A' ' 59' ' ' ILE . 21.8 p -97.32 168.91 10.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.748 0.309 . . . . 0.0 110.583 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.81 -37.14 73.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -64.43 -42.85 95.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.315 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.2 -47.69 68.7 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 HG13 ' A' ' 27' ' ' VAL . 46.0 mm -56.17 -55.69 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.522 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.492 HG13 HG23 ' A' ' 70' ' ' VAL . 88.3 t -60.27 -49.38 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -48.14 74.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.73 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 96.7 t -66.57 -44.45 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.908 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.454 HG21 HG11 ' A' ' 70' ' ' VAL . 62.6 mt -58.46 -48.78 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.281 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.595 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 31.3 mt-10 -68.02 -33.17 74.1 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.993 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.82 -31.66 72.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.059 0.456 . . . . 0.0 110.189 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 15.1 mm100 -74.58 -8.83 57.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.946 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.58 36.8 2.74 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.388 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 53.5 m-85 -128.52 148.71 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.965 0.383 . . . . 0.0 110.476 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 24.8 t70 -105.29 112.91 26.2 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.492 HG23 HG13 ' A' ' 60' ' ' VAL . 16.0 m -124.2 143.23 38.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.972 0.415 . . . . 0.0 111.239 -175.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.606 -0.711 . . . . 0.0 111.108 -176.003 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.77 0.319 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -115.94 -53.28 2.57 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.96 91.13 2.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.771 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.8 ptm -90.17 128.42 36.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.636 0.732 . . . . 0.0 111.838 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 48' ' ' THR . 51.4 mm-40 -110.41 149.51 30.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 98.8 mt-30 -123.44 97.86 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.017 0.436 . . . . 0.0 110.296 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.61 HD22 HD12 ' A' ' 56' ' ' LEU . 50.9 tp -100.44 128.99 46.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.629 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -109.03 104.78 14.06 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.94 142.44 39.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 0.0 111.296 -176.221 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HA ' HG22 ' A' ' 44' ' ' THR . 46.2 mt-30 -81.33 138.46 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.109 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.803 HG21 HG23 ' A' ' 45' ' ' VAL . 56.9 t -113.15 115.57 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.946 0.403 . . . . 0.0 111.747 -173.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -96.63 109.92 22.45 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.24 -106.33 0.29 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.243 -0.503 . . . . 0.0 111.887 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.9 mmt 61.49 178.29 0.12 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.365 0.666 . . . . 0.0 112.376 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -174.34 -52.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.494 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -149.29 -169.49 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.354 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.72 -13.03 83.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.647 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -64.85 -50.48 66.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.569 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 25.4 p -64.64 -24.12 67.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.11 -49.14 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -68.74 -33.25 73.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.915 0.388 . . . . 0.0 110.255 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.33 -57.9 10.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.388 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG23 HG21 ' A' ' 38' ' ' VAL . 12.8 tt -63.75 -33.9 64.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.975 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.07 -53.63 40.02 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.646 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 24.7 m -71.81 -31.74 66.87 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.535 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -53.82 -37.77 63.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.961 0.41 . . . . 0.0 110.001 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 47' ' ' VAL . 19.4 t -83.21 -48.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.511 172.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.646 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 29.0 tptp -59.14 -37.78 78.08 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.47 -25.43 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.055 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.323 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.69 124.77 24.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.013 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.13 -15.47 33.26 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.918 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.429 HG22 HG22 ' A' ' 49' ' ' ILE . 87.3 t -81.41 125.89 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.18 0.514 . . . . 0.0 110.824 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.99 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 3.8 tp10 -89.52 -67.08 0.86 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.58 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.99 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 94.1 mt-30 -134.61 145.52 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.845 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 47' ' ' VAL . 38.3 t -129.13 123.29 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.037 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.783 ' HG3' ' HB3' ' A' ' 46' ' ' GLU . 14.5 ptmt -123.32 94.58 4.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.311 0.577 . . . . 0.0 110.449 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.795 HG13 HG22 ' A' ' 45' ' ' VAL . 54.2 t -87.33 130.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.816 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -109.22 123.13 48.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.394 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -45.78 15.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.125 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.57 -54.94 41.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.912 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.28 -31.13 63.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.702 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.96 40.82 29.37 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 10' ' ' GLN . 18.1 p -133.88 147.13 51.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.849 0.356 . . . . 0.0 110.228 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.803 HG23 HG21 ' A' ' 11' ' ' VAL . 95.1 t -115.54 121.05 66.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.028 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.783 ' HB3' ' HG3' ' A' ' 37' ' ' LYS . 27.9 tt0 -106.45 124.52 49.72 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 27' ' ' VAL . 43.0 t -126.42 135.91 62.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.954 0.407 . . . . 0.0 111.401 -175.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 18.0 m -104.9 112.64 25.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 26.6 pt -121.57 154.08 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.624 -175.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -88.71 98.68 11.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 m -78.8 3.02 17.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.657 -170.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.8 m -80.8 -11.2 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.172 0.511 . . . . 0.0 109.722 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -121.19 -63.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.588 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 51' ' ' SER . 12.3 p -102.18 141.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.4 p -97.07 172.22 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.76 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.61 HD12 HD22 ' A' ' 7' ' ' LEU . 3.6 mm? -70.25 -31.3 68.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.3 -43.07 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.003 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.33 -45.6 80.27 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.01 0.433 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.436 HD12 HG13 ' A' ' 27' ' ' VAL . 49.2 mm -58.8 -54.98 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.5 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.6 -43.67 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.6 89.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.543 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 95.0 t -75.11 -34.64 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.86 0.362 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.68 -49.54 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.45 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 32.1 mt-10 -66.17 -26.42 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.248 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.3 -24.8 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 73.2 mm-40 -80.71 -2.28 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.59 26.6 8.51 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.623 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 57.7 m-85 -114.85 149.44 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.44 100.98 9.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 171.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 11' ' ' VAL . 15.7 m -107.93 150.07 10.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.364 0.602 . . . . 0.0 112.23 -171.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 . . . . . 0 C--O 1.245 0.83 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.448 177.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -97.93 153.94 18.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 0.0 110.672 -174.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.92 95.28 3.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.029 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 52.3 mtt -83.18 109.21 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.253 0.549 . . . . 0.0 112.258 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -104.7 142.33 34.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.753 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -108.83 96.92 6.65 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 3.0 mm? -92.83 125.53 37.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 9.4 m -111.85 104.71 13.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.871 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -103.63 146.51 28.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.885 -176.212 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 97.8 mt-30 -76.29 131.61 39.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.52 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.72 HG21 HG23 ' A' ' 45' ' ' VAL . 23.2 t -113.77 107.48 23.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.803 0.335 . . . . 0.0 111.431 -175.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.889 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 61.1 mm-40 -88.97 118.64 28.83 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.62 25.52 1.41 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.564 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.513 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 19.4 mmt -73.51 112.08 9.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.367 . . . . 0.0 110.251 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.657 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 43.3 t -102.28 -76.85 0.57 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.507 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -141.24 -177.15 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.603 0.24 . . . . 0.0 111.277 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.17 -40.61 84.27 Favored Glycine 0 CA--C 1.521 0.452 0 CA-C-N 115.921 -0.582 . . . . 0.0 114.332 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -61.13 -27.52 68.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 117.418 0.609 . . . . 0.0 111.447 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 31.2 m -64.17 -28.48 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.14 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.649 HG13 HG13 ' A' ' 38' ' ' VAL . 73.0 t -58.67 -56.24 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.404 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -61.91 -39.86 93.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.378 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -62.21 1.81 Allowed 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.592 0.557 . . . . 0.0 111.117 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 19' ' ' CYS . 11.0 tt -67.58 -34.61 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.004 -177.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.88 -60.01 3.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.432 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.6 m -73.17 -30.79 63.81 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.837 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -53.61 -34.53 58.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.318 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.647 HG13 HD12 ' A' ' 59' ' ' ILE . 35.4 t -84.02 -48.17 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 33' ' ' VAL . 61.7 tttm -64.08 -31.56 72.8 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.76 -11.61 61.06 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 111.266 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.661 HD12 HD13 ' A' ' 59' ' ' ILE . 30.4 mt -78.0 172.37 13.6 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -85.04 153.05 22.98 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.29 17.51 66.22 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.065 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 28' ' ' LYS . 77.8 t -103.13 115.71 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-O 121.551 0.691 . . . . 0.0 110.021 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -87.24 -55.61 3.73 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.775 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.44 153.86 31.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.737 HG12 HG13 ' A' ' 47' ' ' VAL . 35.9 m -130.73 156.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.341 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -144.19 93.95 2.51 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.649 HG13 HG13 ' A' ' 20' ' ' VAL . 2.3 p -87.89 109.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.395 0.617 . . . . 0.0 109.742 175.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -91.23 102.39 15.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.755 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.87 -47.66 82.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.193 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.33 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 111.532 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -82.79 -22.95 34.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.513 ' HA2' ' HG3' ' A' ' 14' ' ' MET . . . 72.15 28.13 68.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.842 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -132.25 153.7 50.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 110.713 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 HG21 ' A' ' 11' ' ' VAL . 76.6 t -129.93 120.11 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.077 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.6 tt0 -99.59 126.33 45.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.737 HG13 HG12 ' A' ' 36' ' ' VAL . 39.3 t -123.56 128.68 74.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.566 178.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -96.61 103.19 15.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.661 HG23 HG12 ' A' ' 47' ' ' VAL . 23.3 pt -117.08 162.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.157 0.503 . . . . 0.0 111.404 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -91.21 107.26 19.08 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.929 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.3 p -76.07 0.67 17.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -94.4 -7.1 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.31 -54.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.623 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -109.39 152.24 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -95.19 156.85 16.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 57' ' ' LYS . 4.4 pp -68.06 -28.8 67.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.3 tmtt? -64.72 -37.1 86.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -56.42 -46.71 80.09 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.661 HD13 HD12 ' A' ' 30' ' ' LEU . 42.7 mm -55.43 -56.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.215 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.622 HG13 HG23 ' A' ' 70' ' ' VAL . 60.7 t -57.37 -45.52 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.362 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.26 81.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.494 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 76.4 t -73.21 -43.87 56.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.695 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.3 mt -58.12 -52.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.694 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 42.8 mt-10 -64.18 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.986 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.4 -25.9 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 33.0 mm-40 -77.0 -9.79 58.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.35 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 43.53 1.3 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 81.2 m-85 -136.45 150.97 48.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.389 . . . . 0.0 110.449 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.889 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 9.1 m-20 -108.17 102.14 11.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.566 173.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.622 HG23 HG13 ' A' ' 60' ' ' VAL . 29.9 m -118.27 122.95 70.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.272 0.558 . . . . 0.0 110.89 -177.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.32 -176.6 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.683 0.278 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.497 ' HA ' ' HB2' ' A' ' 52' ' ' SER . 32.6 p30 -134.93 161.39 35.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.355 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.21 106.89 2.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.9 mmm -84.3 121.15 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -126.83 138.15 53.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.728 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -107.84 109.74 21.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -111.62 142.13 44.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -104.0 109.89 21.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.68 145.09 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.761 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -96.61 126.63 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.634 HG21 HG23 ' A' ' 45' ' ' VAL . 13.9 t -115.33 110.54 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.528 -170.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 8.1 mm-40 -93.1 130.99 38.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.368 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.05 68.41 1.29 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.459 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.488 ' SD ' HD22 ' A' ' 40' ' ' LEU . 52.9 mtt -97.24 -167.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.669 -0.313 . . . . 0.0 110.428 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -125.6 -81.7 0.63 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.957 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 t -167.82 -74.23 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.219 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.57 -53.43 0.23 Allowed Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.87 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -67.07 -24.34 65.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.065 0.459 . . . . 0.0 111.183 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.606 ' O ' HG22 ' A' ' 23' ' ' ILE . 8.8 p -63.04 -23.92 67.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.773 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.43 -57.94 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.019 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.04 -33.56 76.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.9 -56.41 21.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.748 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 19' ' ' CYS . 6.9 tp -66.81 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.995 0.426 . . . . 0.0 110.626 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -51.5 -55.02 21.24 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.551 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 14.7 p -73.17 -33.41 65.42 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.227 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.6 p -56.43 -32.7 65.14 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.208 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.565 HG13 HD12 ' A' ' 59' ' ' ILE . 22.7 t -82.94 -45.96 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 172.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.62 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 56.7 tptt -64.03 -31.76 73.06 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.66 -24.9 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.395 0.616 . . . . 0.0 110.473 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD21 HG21 ' A' ' 62' ' ' VAL . 43.4 mt -74.3 147.93 41.86 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.667 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -82.5 127.12 33.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 2.56 32.29 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.646 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 49' ' ' ILE . 74.3 t -105.03 122.76 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.823 0.344 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 24.1 mm-40 -90.93 -67.99 0.82 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.812 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -124.74 141.32 52.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.582 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.66 98.01 4.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.84 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 45.0 mtmt -95.05 93.52 7.42 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.163 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.29 117.07 29.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.292 0.568 . . . . 0.0 110.485 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -96.5 93.36 6.75 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD22 ' SD ' ' A' ' 14' ' ' MET . 0.4 OUTLIER -62.71 -36.25 82.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.566 -173.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.29 -13.76 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.185 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.57 -35.7 4.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.963 0.411 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.84 28.43 13.98 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.391 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 p -130.15 151.78 50.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.672 0.272 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 HG21 ' A' ' 11' ' ' VAL . 69.3 t -129.82 120.89 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.848 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 52.6 mt-10 -94.16 118.81 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 27' ' ' VAL . 30.4 t -119.39 135.53 59.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.821 0.343 . . . . 0.0 111.439 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 34' ' ' GLU . 2.4 m -96.94 104.23 16.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.647 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.618 HG22 HG22 ' A' ' 33' ' ' VAL . 43.8 pt -115.55 151.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 111.252 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 2' ' ' ASN . 45.6 t0 -90.02 99.85 12.79 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 169.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -72.5 -3.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.497 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . 33.3 m -92.55 0.9 57.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.28 0.562 . . . . 0.0 109.873 174.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.58 -70.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.187 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -99.81 144.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -104.42 166.42 10.41 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.186 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.18 -37.79 81.28 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.807 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.544 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.3 -42.85 87.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.559 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -62.51 -42.51 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 110.031 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.565 HD12 HG13 ' A' ' 27' ' ' VAL . 35.7 mm -59.07 -51.58 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.597 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 t -54.0 -46.61 65.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.836 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.65 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.632 HG21 HD21 ' A' ' 30' ' ' LEU . 60.2 t -69.81 -45.42 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 49.5 mt -56.75 -51.57 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.647 0.261 . . . . 0.0 111.632 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 28.0 mt-10 -67.07 -31.41 71.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.983 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.52 -25.32 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.29 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 86.1 mm-40 -79.47 -12.23 59.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.208 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.86 25.26 4.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.112 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 96.4 m-85 -113.52 153.33 28.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 110.476 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 28.6 t70 -109.85 112.42 24.44 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG11 HG21 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -159.29 111.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.289 0.566 . . . . 0.0 110.679 -174.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.73 -179.026 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 13.3 m . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.718 0.294 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.63 -46.14 17.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.531 0.205 . . . . 0.0 111.035 -174.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.38 99.95 4.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.899 0.381 . . . . 0.0 109.99 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 1' ' ' SER . 75.7 mmm -87.92 114.46 24.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.104 -173.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -115.22 126.86 55.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.116 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -111.25 113.94 26.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.808 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.03 145.18 50.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.738 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m -105.33 113.08 26.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.103 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.61 146.85 27.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 -177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.758 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.2 pt20 -94.35 128.73 41.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 t -107.81 101.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.738 -174.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.87 117.07 29.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.2 34.7 0.93 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.49 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 mtt -78.62 138.27 38.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 111.585 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -92.74 3.48 55.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.984 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.1 t 70.02 139.69 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.634 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.19 -79.99 0.62 Allowed Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.548 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -58.35 -30.42 66.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.878 0.37 . . . . 0.0 111.233 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 23' ' ' ILE . 19.4 p -63.15 -27.23 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.8 -57.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.708 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -63.23 -38.91 93.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.964 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.75 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.839 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 19' ' ' CYS . 10.5 tp -69.48 -39.58 78.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.635 -176.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.6 -50.82 71.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.713 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.567 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 23.9 p -72.46 -32.34 66.17 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.432 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -53.32 -41.14 65.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.766 HG11 HG11 ' A' ' 47' ' ' VAL . 21.2 t -84.24 -43.6 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.288 174.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 40.3 ttmt -64.27 -32.73 74.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -173.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.6 mt-10 -67.34 -30.72 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.997 0.427 . . . . 0.0 110.45 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 62' ' ' VAL . 52.9 mt -62.33 138.99 58.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.045 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -78.11 120.64 23.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.12 15.6 8.34 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.471 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 49' ' ' ILE . 71.4 t -118.53 127.09 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 121.16 0.505 . . . . 0.0 109.885 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.87 -52.92 4.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.029 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -150.5 148.48 28.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.673 HG13 HG22 ' A' ' 47' ' ' VAL . 22.3 t -127.85 116.22 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.667 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -114.53 94.83 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -83.16 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -108.81 98.36 7.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.535 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.64 -44.04 97.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -44.43 63.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.2 -19.29 25.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.868 0.366 . . . . 0.0 111.552 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.33 44.47 13.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.459 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.758 HG22 ' HA ' ' A' ' 10' ' ' GLN . 1.4 p -145.25 161.55 39.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 38' ' ' VAL . 8.7 t -134.45 127.96 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -97.77 107.4 19.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.347 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.766 HG11 HG11 ' A' ' 27' ' ' VAL . 36.4 t -113.65 140.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.576 -172.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -113.04 110.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 33' ' ' VAL . 18.3 pt -115.54 167.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -100.44 104.46 15.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -74.28 1.09 12.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -93.07 -6.38 48.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.17 0.509 . . . . 0.0 110.243 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -122.52 -51.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.99 -177.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -111.81 151.46 13.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.1 p -104.14 161.34 14.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.295 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.26 -35.04 77.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.7 tmtm? -63.61 -39.58 94.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 62' ' ' VAL . 63.9 m-20 -56.12 -49.62 73.4 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.036 0.446 . . . . 0.0 109.919 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.611 HD12 HG13 ' A' ' 27' ' ' VAL . 41.7 mm -55.84 -57.37 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.298 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.6 HG13 HG23 ' A' ' 70' ' ' VAL . 74.2 t -56.6 -50.59 72.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.104 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.05 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.833 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 86.8 t -66.31 -37.63 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.721 0.295 . . . . 0.0 110.633 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.6 mt -65.85 -50.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.366 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.86 -29.23 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.06 -23.72 67.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.105 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 61.4 mm-40 -82.85 0.64 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.757 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.89 44.47 3.34 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.091 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' HB2' ' A' ' 66' ' ' GLN . 71.0 m-85 -131.78 157.93 42.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.686 0.279 . . . . 0.0 110.737 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -111.5 108.8 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.62 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.6 HG23 HG13 ' A' ' 60' ' ' VAL . 35.7 m -133.15 135.98 55.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.258 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.821 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -142.85 158.43 43.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.363 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.32 102.16 0.84 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.157 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.721 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -86.39 132.75 33.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.58 . . . . 0.0 111.453 -178.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' THR . 52.5 mm-40 -111.53 143.73 41.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.111 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -100.14 95.45 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD13 ' HG ' ' A' ' 56' ' ' LEU . 96.8 mt -109.59 121.66 45.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.096 -175.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 46' ' ' GLU . 90.1 m -98.99 104.72 16.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.949 178.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.542 HD11 ' HB ' ' A' ' 45' ' ' VAL . 1.5 pp -101.0 147.96 25.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.715 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' NE2' ' HB2' ' A' ' 71' ' ' GLN . 27.2 pt20 -91.02 142.83 27.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.146 0.498 . . . . 0.0 110.78 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.673 HG21 HG23 ' A' ' 45' ' ' VAL . 17.6 t -118.54 121.18 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.6 -174.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -109.52 125.53 52.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.807 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.14 47.49 1.14 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.2 mmt -76.62 125.03 28.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.654 -0.321 . . . . 0.0 110.439 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 7.1 m -65.44 -69.2 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.541 -177.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p -164.38 -81.81 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.65 -53.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -61.47 -15.41 37.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 111.189 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.58 ' O ' HG22 ' A' ' 23' ' ' ILE . 7.4 p -60.25 -31.88 70.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.637 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG13 ' HB ' ' A' ' 38' ' ' VAL . 96.3 t -61.85 -50.38 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.53 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.79 -44.01 94.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.637 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -56.95 15.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.433 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.698 HG23 HG21 ' A' ' 38' ' ' VAL . 11.4 tt -67.14 -34.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.974 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.34 -53.96 49.65 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.444 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.405 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 8.1 p -72.06 -32.27 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.581 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -54.72 -36.93 65.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.127 0.489 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG13 HD12 ' A' ' 59' ' ' ILE . 58.3 t -83.08 -45.41 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.72 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 63.6 tttm -67.42 -31.5 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -171.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.01 -25.91 66.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 120.987 0.423 . . . . 0.0 110.646 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.31 133.44 54.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.58 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -67.22 114.43 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.65 -4.48 13.16 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.906 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 49' ' ' ILE . 70.7 t -94.85 115.11 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.55 0.691 . . . . 0.0 110.618 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.75 -56.11 4.78 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.058 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -149.96 155.77 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.612 HG23 HG22 ' A' ' 47' ' ' VAL . 3.2 p -148.4 116.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.606 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -108.2 107.55 18.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.617 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HG13 ' A' ' 20' ' ' VAL . 50.9 t -85.19 115.38 26.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.358 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -100.54 102.2 13.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.203 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -66.95 -48.0 69.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.357 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -29.95 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.255 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -93.93 -29.34 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.911 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.56 36.36 16.93 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.779 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -138.09 162.9 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.918 0.389 . . . . 0.0 110.644 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG23 HG21 ' A' ' 11' ' ' VAL . 97.3 t -133.62 117.35 26.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 8' ' ' THR . 19.4 mt-10 -94.49 108.74 20.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.658 HG12 HG23 ' A' ' 49' ' ' ILE . 6.1 t -112.55 136.56 48.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.974 -175.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 26.4 m -112.25 101.63 9.85 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.739 HG22 HG22 ' A' ' 33' ' ' VAL . 33.0 pt -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.013 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -74.2 99.44 3.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.5 p -76.04 8.01 3.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.468 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 m -90.16 -16.68 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.271 0.558 . . . . 0.0 109.737 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.92 -65.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.951 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -99.84 140.4 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -95.67 166.08 12.0 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HG ' HD13 ' A' ' 7' ' ' LEU . 3.1 tm? -63.78 -30.98 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -64.1 -43.82 94.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.81 -44.7 78.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.31 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.616 HD12 HG13 ' A' ' 27' ' ' VAL . 46.0 mm -57.97 -55.87 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.387 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG13 ' HB ' ' A' ' 70' ' ' VAL . 58.2 t -63.08 -41.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.034 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.8 78.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.021 0.439 . . . . 0.0 111.365 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.6 t -73.49 -45.79 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.7 mt -54.15 -51.71 44.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.56 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 52.1 mt-10 -63.9 -32.87 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.191 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.49 -24.88 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.0 110.838 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.59 -14.68 61.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.998 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.22 42.71 0.75 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.886 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 84.9 m-85 -137.59 162.04 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.91 128.15 47.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.522 ' HB ' HG13 ' A' ' 60' ' ' VAL . 62.2 t -127.35 120.04 53.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.992 -175.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.409 ' HB2' ' NE2' ' A' ' 10' ' ' GLN . 58.6 mt-30 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.329 -0.843 . . . . 0.0 110.062 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.693 0.282 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.591 ' HB3' ' OD2' ' A' ' 50' ' ' ASP . 93.6 m-20 -121.85 159.94 25.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -152.56 116.14 4.77 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.516 0.198 . . . . 0.0 111.493 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.2 mmm -82.73 113.05 20.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -114.34 142.23 46.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.707 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -116.48 113.19 22.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -115.14 168.59 9.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.832 0.348 . . . . 0.0 111.124 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.6 m -133.36 118.93 19.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.247 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -114.09 144.92 42.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.359 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.8 pt20 -77.69 141.82 39.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.435 ' HA ' HG12 ' A' ' 70' ' ' VAL . 2.1 p -117.97 102.86 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.609 0.718 . . . . 0.0 111.271 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 21.3 mm-40 -98.79 127.36 44.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.558 173.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.41 8.27 4.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.059 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.48 ' SD ' HD22 ' A' ' 40' ' ' LEU . 62.2 mtm -67.8 157.62 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.758 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 t -147.53 -72.64 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 0.0 110.458 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -121.43 -170.52 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.73 -20.73 68.57 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.841 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -73.55 -26.84 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.686 -0.302 . . . . 0.0 111.328 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.1 p -65.92 -26.35 67.56 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.764 HG13 ' HB ' ' A' ' 38' ' ' VAL . 91.1 t -58.54 -54.22 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.676 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.67 -41.43 81.55 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.56 -60.57 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.513 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.469 HG23 HG21 ' A' ' 38' ' ' VAL . 13.6 tt -70.7 -33.56 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.618 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 36' ' ' VAL . 36.0 tt0 -51.95 -55.63 19.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.476 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.555 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.3 m -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.63 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' HD23 ' A' ' 30' ' ' LEU . 68.4 m -55.73 -34.56 65.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.334 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 63' ' ' ILE . 15.1 t -84.25 -52.83 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.7 tptt -55.86 -41.37 74.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -62.58 -32.98 74.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.46 . . . . 0.0 111.104 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 1.6 mm? -55.94 130.01 42.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.305 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.531 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 13.7 t-20 -69.46 116.14 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.2 -9.71 11.04 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -90.62 134.33 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.431 177.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -99.47 -69.69 0.76 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.002 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -132.63 145.68 51.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.834 0.35 . . . . 0.0 111.439 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.539 HG12 HG13 ' A' ' 47' ' ' VAL . 22.0 m -134.99 137.0 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -129.23 95.79 4.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.125 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.764 ' HB ' HG13 ' A' ' 20' ' ' VAL . 47.1 t -78.41 122.89 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.06 177.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -104.92 105.73 15.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD22 ' SD ' ' A' ' 14' ' ' MET . 1.1 tm? -65.3 -40.29 93.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.771 -175.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.24 83.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.255 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.23 -26.72 23.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.74 28.09 48.14 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.069 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -133.47 162.07 32.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG22 HG13 ' A' ' 38' ' ' VAL . 48.8 t -127.98 125.81 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -92.72 130.81 38.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.539 HG13 HG12 ' A' ' 36' ' ' VAL . 52.9 t -133.59 130.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.389 . . . . 0.0 111.509 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -99.21 109.53 22.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.197 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.533 HG23 HG12 ' A' ' 47' ' ' VAL . 35.6 pt -115.81 168.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.146 0.498 . . . . 0.0 110.955 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.591 ' OD2' ' HB3' ' A' ' 2' ' ' ASN . 12.3 t0 -103.9 101.81 11.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.5 t -77.56 4.11 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.296 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 m -98.04 -3.27 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.207 0.527 . . . . 0.0 109.976 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.8 t -120.7 -64.41 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.479 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.6 p -102.06 154.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.004 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -100.27 164.77 11.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 pp -75.32 -30.16 60.23 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.899 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.8 tmtm? -68.08 -43.88 77.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.21 -48.84 75.64 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.677 HG21 HG13 ' A' ' 27' ' ' VAL . 55.6 mt -58.95 -54.44 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.482 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.589 HG13 HG23 ' A' ' 70' ' ' VAL . 50.5 t -55.57 -42.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.95 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.785 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 30' ' ' LEU . 77.8 t -66.5 -43.32 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 27' ' ' VAL . 64.6 mt -62.92 -47.29 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.582 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 35.6 mt-10 -68.7 -25.27 64.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.682 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.44 -20.17 65.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -79.71 -10.4 59.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.427 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.28 2.74 33.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.343 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.56 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 98.7 m-85 -91.27 158.03 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 0.0 110.949 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 4.7 m-20 -116.74 104.88 11.79 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 171.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 60' ' ' VAL . 34.0 m -122.4 145.76 28.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.558 -173.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.34 -178.455 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.63 133.65 54.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.48 95.99 5.42 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.3 mmm -86.72 97.0 10.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.515 -174.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -101.64 130.4 47.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.517 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -98.83 108.23 20.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.61 145.46 42.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.812 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.1 m -109.94 104.94 13.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.936 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.33 136.48 32.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.249 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.631 ' HA ' HG22 ' A' ' 44' ' ' THR . 16.0 pt20 -92.15 118.73 31.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.42 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.549 ' HA ' HG22 ' A' ' 70' ' ' VAL . 13.5 t -108.6 100.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.179 -175.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -98.59 116.11 30.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.507 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.91 42.88 0.76 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.846 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -58.58 149.88 24.48 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.043 0.449 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 t -82.08 -74.99 0.32 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.189 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.63 -90.32 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.92 -54.51 0.07 OUTLIER Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.122 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -61.03 -22.32 64.44 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.24 0.543 . . . . 0.0 110.638 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.2 p -61.45 -24.48 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.972 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG13 HG13 ' A' ' 38' ' ' VAL . 75.1 t -56.98 -56.96 11.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 O-C-N 123.198 0.311 . . . . 0.0 110.7 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -69.44 -32.22 71.03 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.645 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -56.42 22.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.18 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.7 tt -68.43 -34.6 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.715 0.293 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.33 -52.82 60.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 46.2 m -72.4 -30.34 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.47 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.595 ' HB3' HG12 ' A' ' 62' ' ' VAL . 73.4 m -53.58 -37.77 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 59' ' ' ILE . 46.9 t -83.34 -51.79 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.046 173.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 24.7 ttmm -58.4 -40.05 81.37 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.84 -22.77 67.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 111.567 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 59' ' ' ILE . 16.4 mt -71.4 132.95 45.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.475 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 26.8 t-20 -72.93 127.61 33.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.021 0.438 . . . . 0.0 111.16 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.65 0.61 27.56 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.433 HG11 HG12 ' A' ' 27' ' ' VAL . 77.0 t -95.33 122.51 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.294 0.568 . . . . 0.0 110.867 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -67.42 0.76 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -136.03 148.71 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.647 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' HB ' ' A' ' 27' ' ' VAL . 2.6 p -138.88 114.58 9.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.152 0.501 . . . . 0.0 110.364 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -116.88 101.41 8.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.34 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 45' ' ' VAL . 3.9 p -85.5 117.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.347 0.594 . . . . 0.0 110.408 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.2 101.1 13.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.4 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 40' ' ' LEU . 1.4 tm? -63.26 -41.35 99.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.979 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.01 -52.14 66.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.556 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.8 -34.84 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.38 . . . . 0.0 111.377 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.37 35.81 11.61 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.127 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 10' ' ' GLN . 21.7 p -139.91 160.27 40.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 HG23 ' A' ' 38' ' ' VAL . 33.6 t -128.44 120.43 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.745 0.307 . . . . 0.0 110.29 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.71 112.39 24.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.577 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.71 128.26 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.337 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -96.02 111.7 23.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.5 pt -114.85 152.69 16.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.04 95.66 10.41 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.0 t -74.74 -3.27 30.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.228 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.7 m -84.68 -13.69 50.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.173 0.511 . . . . 0.0 109.906 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -117.99 -62.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.136 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.5 p -101.96 148.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.99 158.1 15.73 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.84 -29.22 69.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -59.09 -40.62 85.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.54 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 62' ' ' VAL . 51.1 m-20 -56.03 -49.67 73.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.127 0.489 . . . . 0.0 110.032 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.768 HD12 HG13 ' A' ' 27' ' ' VAL . 36.8 mm -58.22 -52.07 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.284 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.07 -47.4 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.117 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.0 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.69 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.595 HG12 ' HB3' ' A' ' 26' ' ' SER . 47.4 t -65.93 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.881 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.8 -47.26 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.973 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.21 -26.57 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.592 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.63 -26.11 68.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.973 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -73.43 -9.96 59.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.25 27.82 6.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -116.15 160.16 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -114.19 117.62 31.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 11' ' ' VAL . 87.1 t -132.89 128.79 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.402 -176.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.25 1.102 0 O-C-N 123.897 0.748 . . . . 0.0 110.361 177.885 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.55 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 46.8 p . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 121.261 0.553 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -107.76 115.02 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.946 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.56 82.57 0.16 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 -174.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 1' ' ' SER . 89.6 mmm -87.41 101.96 14.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.664 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.53 113.87 25.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.235 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -101.5 115.54 30.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.83 146.59 49.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 111.136 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -110.79 104.53 13.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.104 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.33 141.38 28.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.5 pt20 -83.24 146.55 28.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 172.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.35 111.73 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.55 0.69 . . . . 0.0 111.431 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.807 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 5.7 mm-40 -87.19 111.93 21.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.638 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.37 -110.77 0.46 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.837 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.424 ' HE1' ' HA2' ' A' ' 43' ' ' GLY . 58.5 mtt 62.54 -170.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.289 0.636 . . . . 0.0 112.077 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 p -158.66 -73.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.774 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.2 t -153.83 -56.41 0.11 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.913 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -141.14 -33.69 0.12 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.318 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -63.42 -49.35 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.062 0.431 . . . . 0.0 110.949 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 23' ' ' ILE . 96.8 m -63.6 -24.49 67.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.691 0.281 . . . . 0.0 111.23 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 76.7 t -61.71 -58.04 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.52 -23.62 60.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.723 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -57.31 12.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.471 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.4 tt -67.96 -34.58 67.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.647 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 40.2 tt0 -53.27 -52.62 58.45 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.299 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 p -73.46 -30.71 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.904 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 30' ' ' LEU . 71.3 m -53.35 -40.83 65.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.501 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.617 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 5.7 p -83.88 -43.96 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.031 0.443 . . . . 0.0 111.163 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 7.6 tmtm? -57.46 -39.96 77.45 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.276 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.88 -23.79 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 3.9 mm? -62.42 129.53 41.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.358 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.533 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 51.3 t30 -71.46 111.43 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.602 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.94 18.03 4.83 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.045 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.72 122.55 59.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.113 0.483 . . . . 0.0 110.569 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.8 -66.61 0.82 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.729 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -138.04 152.56 48.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.665 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.18 122.04 55.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.271 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 9.1 mtpm? -114.68 94.23 4.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.25 124.36 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.251 0.548 . . . . 0.0 110.013 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -106.01 95.79 6.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.355 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 20' ' ' VAL . 3.0 tm? -63.33 -35.79 81.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.706 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.78 55.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.56 -21.42 14.73 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' HA2' ' HE1' ' A' ' 14' ' ' MET . . . 73.74 30.36 61.89 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.728 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' GLN . 22.8 p -134.64 165.8 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -134.92 124.81 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.226 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 43.9 mt-10 -98.4 115.83 29.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.864 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -126.91 128.89 71.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.825 0.345 . . . . 0.0 111.429 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.5 m -101.96 118.19 36.39 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 4' ' ' MET . 18.6 pt -115.65 160.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.518 . . . . 0.0 112.034 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -93.56 103.71 15.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 168.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 t -77.78 -0.03 25.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.019 0.438 . . . . 0.0 111.374 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.5 m -91.25 -13.1 33.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.085 0.469 . . . . 0.0 110.066 175.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.42 -58.65 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.276 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.533 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 9.7 p -105.08 156.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.2 p -108.06 160.99 15.36 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.1 tp -69.1 -36.14 77.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.893 0.377 . . . . 0.0 110.288 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -42.62 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 62' ' ' VAL . 19.2 m-20 -58.09 -41.64 83.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.052 0.453 . . . . 0.0 110.273 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.69 -51.49 61.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.777 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 71.6 t -55.93 -43.21 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.572 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.66 -54.76 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.078 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 HD21 ' A' ' 30' ' ' LEU . 93.3 t -60.01 -44.02 93.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.585 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG21 HG11 ' A' ' 70' ' ' VAL . 72.7 mt -64.22 -50.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.6 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 38.7 mt-10 -66.41 -30.77 71.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.457 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.51 -21.96 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.767 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.2 mm-40 -84.73 2.94 39.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.797 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.32 44.29 4.39 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -129.81 154.63 47.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.807 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 35.4 t70 -113.84 100.39 8.4 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 17.9 m -112.08 164.55 7.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.896 0.379 . . . . 0.0 111.706 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.882 -178.027 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m120 60.04 82.48 0.15 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.676 0.61 . . . . 0.0 111.585 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.83 119.08 30.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.255 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.5 mmm -82.54 122.55 28.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -119.97 144.87 47.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -114.78 116.82 29.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.2 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.781 ' HG ' HD12 ' A' ' 56' ' ' LEU . 3.0 mm? -121.5 162.03 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -118.86 113.92 21.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.075 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 9' ' ' LEU . 6.8 mp -100.64 133.91 44.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.136 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.601 ' HA ' HG22 ' A' ' 44' ' ' THR . 14.2 pt20 -90.81 127.54 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 110.221 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.526 ' HA ' HG22 ' A' ' 70' ' ' VAL . 10.8 t -113.3 106.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 43.4 mt-10 -94.73 123.86 38.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.282 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.03 40.96 2.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.023 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.504 ' SD ' ' HA2' ' A' ' 43' ' ' GLY . 50.9 mtt -77.96 124.74 28.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.899 0.35 . . . . 0.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -76.73 -2.06 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.624 ' HA ' HD21 ' A' ' 40' ' ' LEU . 42.1 t 72.33 164.78 0.29 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.363 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.62 -105.7 0.89 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.754 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.88 -12.94 60.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 110.916 -175.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 23' ' ' ILE . 46.4 t -54.0 -35.17 61.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.498 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 HG13 ' A' ' 38' ' ' VAL . 69.9 t -57.45 -63.44 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.264 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.44 -37.41 75.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.113 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -60.06 4.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.212 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -67.87 -34.45 67.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 45.1 tt0 -55.27 -46.34 76.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.144 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 26.2 m -72.53 -34.74 67.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.292 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 m -54.38 -32.45 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.652 HG13 HD12 ' A' ' 59' ' ' ILE . 13.7 t -83.38 -55.28 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.614 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 20.4 ttmm -57.37 -38.38 74.13 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.89 -19.1 64.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.141 0.496 . . . . 0.0 111.086 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 62' ' ' VAL . 36.4 mt -78.08 148.18 34.35 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.248 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 29.6 t30 -78.41 128.69 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.296 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.29 13.78 27.77 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.417 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 27' ' ' VAL . 86.4 t -104.55 136.52 37.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 O-C-N 122.637 -0.331 . . . . 0.0 110.538 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.725 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.8 tp10 -101.59 -69.14 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.514 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.725 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 72.5 mt-30 -143.45 149.17 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.189 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.686 HG12 HG13 ' A' ' 47' ' ' VAL . 27.0 m -130.1 137.81 55.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.25 0.548 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 44.6 mtpt -117.34 91.45 3.58 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG23 HG22 ' A' ' 45' ' ' VAL . 2.7 p -88.12 115.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 0.0 110.56 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -96.82 103.65 15.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.654 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 16' ' ' CYS . 2.2 tm? -63.26 -48.02 79.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.002 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.24 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.672 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -82.76 -34.75 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.721 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.504 ' HA2' ' SD ' ' A' ' 14' ' ' MET . . . 82.34 31.18 31.64 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.387 -176.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 10' ' ' GLN . 22.9 p -139.57 154.75 47.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.683 0.278 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 38' ' ' VAL . 22.9 t -127.26 121.28 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.893 0.378 . . . . 0.0 110.764 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.718 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 41.1 mt-10 -88.26 110.87 21.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.371 174.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.686 HG13 HG12 ' A' ' 36' ' ' VAL . 22.6 t -116.33 136.73 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.062 0.458 . . . . 0.0 112.016 -173.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 m -103.39 114.59 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.446 HG23 HG12 ' A' ' 47' ' ' VAL . 43.0 pt -121.75 156.31 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.06 97.99 7.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.399 167.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.8 p -68.33 -9.93 51.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.224 0.535 . . . . 0.0 111.044 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 m -87.61 -5.77 58.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.577 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -125.39 -64.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.1 p -106.25 138.55 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 p -94.28 165.39 12.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.735 -0.386 . . . . 0.0 109.991 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.781 HD12 ' HG ' ' A' ' 7' ' ' LEU . 10.1 tt -61.68 -40.49 95.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.401 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.588 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.2 tmtm? -66.97 -31.26 71.71 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.696 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.89 -51.93 65.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.238 0.542 . . . . 0.0 109.822 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.652 HD12 HG13 ' A' ' 27' ' ' VAL . 38.2 mm -54.81 -51.63 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.109 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG13 ' HB ' ' A' ' 70' ' ' VAL . 89.7 t -58.66 -45.47 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.457 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.53 -43.52 84.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.517 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.615 HG21 HD21 ' A' ' 30' ' ' LEU . 61.8 t -70.53 -36.47 66.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.514 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 68' ' ' TYR . 72.8 mt -66.55 -39.82 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 45.7 mt-10 -71.77 -39.06 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.874 0.369 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.06 -19.96 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.493 0.663 . . . . 0.0 109.993 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.26 -1.85 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.734 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.39 16.05 25.92 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.621 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 83.1 m-85 -108.46 157.4 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 0.0 111.214 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.662 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 13.2 m-20 -110.19 106.7 16.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 176.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.67 ' HB ' HG13 ' A' ' 60' ' ' VAL . 97.6 t -126.24 126.78 69.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.396 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.233 -179.308 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.912 0.387 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -126.35 -40.02 2.0 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.36 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.24 101.9 2.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.092 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.445 ' HE3' ' HG3' ' A' ' 34' ' ' GLU . 12.2 ptm -103.79 118.82 37.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.494 0.664 . . . . 0.0 111.477 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 150.11 22.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.991 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -101.08 120.35 40.08 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -126.85 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.531 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' HG2' ' A' ' 46' ' ' GLU . 28.9 m -116.22 104.68 11.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.842 177.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.11 135.07 34.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.671 0.272 . . . . 0.0 111.191 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 68.1 mm-40 -88.69 113.59 24.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.661 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.624 HG21 HG23 ' A' ' 45' ' ' VAL . 15.4 t -111.56 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.53 128.98 48.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.136 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 29.85 1.38 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.508 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 mmt -65.7 126.51 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.691 0.281 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.624 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t -93.29 -77.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.431 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -142.88 -173.97 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.707 0.289 . . . . 0.0 111.127 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.25 -38.03 91.44 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 113.466 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.384 -0.48 . . . . 0.0 110.145 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 63.8 m -65.06 -26.88 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.431 178.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG22 HD23 ' A' ' 40' ' ' LEU . 59.3 t -62.73 -48.05 89.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.275 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -65.07 -42.09 94.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.928 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.32 -55.65 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.654 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 19' ' ' CYS . 9.8 tt -63.48 -37.58 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 120.633 0.254 . . . . 0.0 110.7 -177.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.47 -57.23 11.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 p -72.42 -30.05 64.28 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.786 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.75 HG13 HD12 ' A' ' 59' ' ' ILE . 61.4 t -82.46 -45.05 19.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -42.56 98.11 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.929 -175.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.74 -21.79 66.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.638 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 59' ' ' ILE . 18.2 mt -67.21 143.34 56.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.896 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.25 131.48 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.232 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.54 -11.65 54.02 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.869 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG22 HG22 ' A' ' 49' ' ' ILE . 66.1 t -85.48 121.79 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' HG3' ' HE3' ' A' ' 4' ' ' MET . 60.1 mm-40 -86.79 -68.96 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.612 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -132.9 138.68 47.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.844 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 47' ' ' VAL . 2.9 p -133.34 126.57 52.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -125.46 109.45 12.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.484 0.659 . . . . 0.0 110.297 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.557 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -85.84 125.91 40.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.063 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -104.87 93.37 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.761 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD23 HG22 ' A' ' 20' ' ' VAL . 3.1 tm? -62.82 -36.82 84.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.109 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.25 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.347 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -105.74 -31.52 8.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.92 35.9 6.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.135 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 10' ' ' GLN . 5.0 p -135.48 159.93 40.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.143 0.497 . . . . 0.0 111.677 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.624 HG23 HG21 ' A' ' 11' ' ' VAL . 59.5 t -134.44 114.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.67 175.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 8' ' ' THR . 30.6 mt-10 -96.29 123.19 39.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.923 0.392 . . . . 0.0 109.95 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.672 HG22 HG23 ' A' ' 36' ' ' VAL . 8.8 t -130.13 143.36 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.996 -174.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -102.18 107.3 18.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.435 HG22 HG22 ' A' ' 33' ' ' VAL . 31.1 pt -115.44 147.24 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 0.0 111.002 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -83.9 102.75 12.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 p -73.66 -4.29 33.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.486 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -85.28 -6.26 59.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.281 0.562 . . . . 0.0 109.497 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -127.15 -66.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.524 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -98.13 137.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.9 p -99.65 -175.96 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.231 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 mp -71.29 -44.29 65.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -52.47 -38.29 59.05 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.928 0.768 . . . . 0.0 111.56 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.93 -52.44 65.2 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.198 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.768 HD13 HD12 ' A' ' 30' ' ' LEU . 25.4 mm -65.27 -48.45 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.218 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 56' ' ' LEU . 49.7 t -56.97 -54.71 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.085 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.99 95.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.809 -176.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.596 HG11 HD11 ' A' ' 30' ' ' LEU . 8.5 p -64.94 -31.85 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.578 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.534 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 67.4 mt -70.82 -55.86 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.087 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 50.4 mt-10 -59.26 -34.33 72.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.957 -173.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.34 -25.79 67.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.713 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.534 ' NE2' ' HA ' ' A' ' 63' ' ' ILE . 42.7 mt-30 -74.66 -9.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.761 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.55 35.93 1.66 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.97 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.503 ' OH ' ' HB3' ' A' ' 19' ' ' CYS . 76.3 m-85 -125.65 171.91 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.023 0.44 . . . . 0.0 110.618 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.35 121.43 21.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.487 174.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 25.3 t -118.92 131.17 72.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.799 0.333 . . . . 0.0 110.236 -177.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.892 -179.371 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 120.858 0.361 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -129.16 161.92 28.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.276 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.63 99.44 2.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.939 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 85.9 mmm -76.83 119.39 20.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.676 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' THR . 61.9 mm-40 -105.1 111.17 23.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.657 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.79 104.01 16.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.8 mt -119.47 135.11 54.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.82 0.343 . . . . 0.0 111.328 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.0 m -105.01 104.94 14.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.038 173.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.4 mp -93.42 127.19 38.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.554 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.2 pt20 -82.47 127.42 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.0 105.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.362 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -92.0 112.94 25.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.653 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 33.81 0.98 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.821 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 mmt -65.66 138.51 58.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.584 0.231 . . . . 0.0 110.57 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 48.2 t -88.47 -86.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.425 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -149.52 -74.38 0.17 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.809 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.28 -47.66 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.425 -0.893 . . . . 0.0 113.349 -177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -68.3 -15.76 63.69 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.104 0.478 . . . . 0.0 110.571 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.597 ' O ' HG22 ' A' ' 23' ' ' ILE . 7.2 p -62.55 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.461 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' A' ' 38' ' ' VAL . 75.1 t -63.84 -54.8 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.21 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -50.41 -49.36 54.87 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.799 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -63.23 1.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.587 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.667 HG23 HG21 ' A' ' 38' ' ' VAL . 9.8 tt -64.12 -37.59 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -174.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -54.68 -55.77 26.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.456 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 p -72.39 -30.34 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.485 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -53.51 -36.52 61.82 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.94 -47.02 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.131 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -63.55 -31.77 73.04 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.05 -25.34 65.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.034 0.445 . . . . 0.0 110.757 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.14 141.37 58.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.179 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.532 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 33.7 t30 -77.47 121.26 23.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.812 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.88 8.9 21.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.583 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.536 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -104.38 114.22 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-O 121.737 0.78 . . . . 0.0 110.033 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 48' ' ' THR . 8.3 tp10 -76.41 -48.9 18.2 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.424 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.488 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 3.9 pt20 -156.85 161.93 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 47' ' ' VAL . 3.5 p -159.6 116.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 37' ' ' LYS . 3.2 mppt? -118.85 116.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.428 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' A' ' 20' ' ' VAL . 40.2 t -93.97 114.62 30.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.108 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -95.61 110.82 22.87 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.352 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.53 -39.9 80.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.359 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.991 0.425 . . . . 0.0 110.793 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -79.41 -34.29 41.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.058 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.61 21.42 66.58 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 10' ' ' GLN . 46.9 p -132.0 161.33 33.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.447 -0.377 . . . . 0.0 110.454 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.624 HG22 HG13 ' A' ' 38' ' ' VAL . 42.4 t -126.1 122.98 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -92.63 110.25 21.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 36' ' ' VAL . 25.3 t -117.04 138.15 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.773 -176.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.488 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 18.0 m -119.92 108.81 14.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.536 HG22 HG22 ' A' ' 33' ' ' VAL . 38.0 pt -115.95 170.86 5.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -103.14 106.29 16.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 52.0 p -72.3 -7.46 49.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.017 0.437 . . . . 0.0 111.079 -175.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -89.58 2.13 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.411 0.624 . . . . 0.0 109.802 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -126.95 -61.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.99 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 51' ' ' SER . 13.7 p -112.75 136.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -81.69 156.69 24.92 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.497 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -68.75 -31.87 71.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.849 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 4.2 tmtt? -68.4 -34.27 75.72 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 62' ' ' VAL . 2.9 m-20 -60.23 -43.89 95.66 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 49' ' ' ILE . 46.3 mm -56.65 -53.78 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 43.1 t -61.31 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.169 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -47.94 80.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.428 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 94.2 t -59.78 -46.23 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.9 -48.2 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.955 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 46.0 mt-10 -63.44 -42.51 98.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.17 -26.95 69.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 87.7 mm-40 -76.67 3.81 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.631 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.84 27.69 6.22 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.647 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 89.9 m-85 -124.08 164.45 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.664 -0.315 . . . . 0.0 110.231 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -129.74 115.31 17.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.39 118.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.049 0.452 . . . . 0.0 111.121 -174.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.014 177.397 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -140.31 149.09 42.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.842 0.353 . . . . 0.0 110.258 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -139.37 107.89 5.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.961 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 29.0 mmt -83.04 94.41 7.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 111.188 -177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 118.08 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.375 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -93.24 106.08 18.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 56' ' ' LEU . 10.8 mp -93.26 152.55 19.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.044 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.438 HG23 ' HG2' ' A' ' 46' ' ' GLU . 3.4 m -134.87 103.87 5.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.414 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 1.1 pp -114.75 145.1 42.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.603 0.24 . . . . 0.0 111.414 -176.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HA ' HG22 ' A' ' 44' ' ' THR . 49.2 mt-30 -82.96 146.47 28.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 70' ' ' VAL . 20.2 t -116.01 106.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -175.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 69' ' ' ASP . 12.2 tp10 -96.95 110.19 22.77 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.26 32.29 0.27 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.983 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.9 mmt -81.99 95.61 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 p -91.69 -31.29 15.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.765 0.317 . . . . 0.0 111.428 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 18' ' ' HIS . 14.2 p -161.53 179.2 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.7 -18.79 74.33 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.283 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 62.6 m170 -62.67 -27.71 69.42 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.556 0.217 . . . . 0.0 110.583 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' ILE . 65.7 m -56.95 -35.49 69.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.429 HG13 ' CG1' ' A' ' 38' ' ' VAL . 74.7 t -48.76 -61.3 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.344 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.79 -37.18 84.07 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.93 -58.21 9.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.815 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' CYS . 19.1 tt -69.96 -34.33 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.037 -177.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.508 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 5.4 tm-20 -56.71 -49.8 74.09 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 12.0 p -72.6 -30.77 64.64 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.679 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.566 ' O ' HD23 ' A' ' 30' ' ' LEU . 62.3 m -56.25 -35.63 67.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 17.6 t -84.2 -44.83 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 173.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 4.4 tppp? -63.37 -36.25 83.08 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -173.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.37 -19.91 65.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.182 0.515 . . . . 0.0 110.81 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.658 HD21 HG21 ' A' ' 62' ' ' VAL . 3.7 mm? -69.52 123.34 21.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.127 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.487 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 32.2 t30 -65.43 114.64 4.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.212 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.1 -9.29 8.45 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.17 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 49' ' ' ILE . 78.0 t -86.81 133.59 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -89.89 -67.4 0.85 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.016 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -133.79 145.93 50.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 47' ' ' VAL . 20.1 t -127.06 100.29 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.663 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -98.38 94.05 6.53 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.058 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.429 ' CG1' HG13 ' A' ' 20' ' ' VAL . 3.3 p -80.95 119.94 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.393 0.616 . . . . 0.0 110.391 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CB ' ' HB2' ' A' ' 42' ' ' GLU . 16.2 mm-40 -94.69 96.64 9.53 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.637 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.89 -48.83 80.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.951 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -33.78 61.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.838 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 27.7 mm-40 -81.81 -21.31 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.681 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.18 23.58 68.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.126 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 10' ' ' GLN . 11.0 p -137.52 168.69 19.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.59 HG12 HG23 ' A' ' 47' ' ' VAL . 95.0 t -133.78 127.81 52.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.085 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' HG2' HG23 ' A' ' 8' ' ' THR . 39.5 mt-10 -108.18 114.99 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.904 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 45' ' ' VAL . 48.7 t -127.7 132.52 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.755 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.4 m -95.21 112.66 24.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.441 HG22 HG22 ' A' ' 33' ' ' VAL . 30.5 pt -115.62 157.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.901 0.382 . . . . 0.0 110.923 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 45.2 t0 -93.66 96.56 9.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 t -73.64 -4.96 37.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 -174.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -83.56 -8.31 59.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.69 -69.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.224 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 14.0 p -95.16 144.42 9.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -101.06 161.18 13.78 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.104 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.505 ' HB3' HD21 ' A' ' 7' ' ' LEU . 3.6 pp -61.66 -30.78 70.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.0 tmtt? -67.39 -42.88 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.239 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -53.14 -51.96 60.28 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.636 0.731 . . . . 0.0 109.653 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.437 ' O ' HG13 ' A' ' 63' ' ' ILE . 72.8 mt -63.14 -52.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.371 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.513 HG21 ' NE2' ' A' ' 71' ' ' GLN . 69.6 t -58.31 -40.37 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.819 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.23 80.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 30' ' ' LEU . 95.1 t -67.23 -44.15 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.414 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.588 HD11 HG22 ' A' ' 27' ' ' VAL . 82.7 mt -60.01 -48.79 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.026 0.441 . . . . 0.0 111.414 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.62 -24.74 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.877 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.38 -20.1 64.67 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.161 0.505 . . . . 0.0 110.472 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -79.09 -21.21 47.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.897 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 35.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -127.17 156.05 42.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 11.9 m-20 -115.23 102.49 9.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 11' ' ' VAL . 34.7 m -122.5 165.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.64 -171.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.513 ' NE2' HG21 ' A' ' 60' ' ' VAL . 6.8 tt0 . . . . . 0 C--O 1.25 1.083 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.572 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 120.929 0.395 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -111.68 -62.09 1.61 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.843 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.14 99.94 3.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.743 0.306 . . . . 0.0 110.952 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.64 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 51.8 mtt -87.83 121.71 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.147 0.499 . . . . 0.0 111.634 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -106.0 127.16 52.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.902 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -101.08 100.03 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.32 140.88 45.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -105.31 111.02 23.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.52 126.34 45.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.446 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.5 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -82.37 123.65 29.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.113 0.483 . . . . 0.0 109.993 176.1 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 p -122.82 131.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.771 -172.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.2 147.04 45.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.259 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.7 -14.99 9.78 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.514 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.539 ' HB2' ' CB ' ' A' ' 19' ' ' CYS . 25.0 ptt? -106.82 142.53 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 m -143.28 3.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -141.51 169.8 16.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 111.581 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.72 -25.76 73.96 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -56.84 -43.56 81.24 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.539 ' CB ' ' HB2' ' A' ' 14' ' ' MET . 61.0 m -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.381 176.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 HG13 ' A' ' 38' ' ' VAL . 96.5 t -48.47 -53.3 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.533 0.521 . . . . 0.0 111.015 177.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.68 -50.44 73.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -58.67 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.843 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.0 tt -64.26 -34.97 72.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.972 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.41 -52.64 63.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.313 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 50.2 m -72.53 -34.47 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.503 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -52.93 -40.17 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.534 HG11 HG21 ' A' ' 47' ' ' VAL . 32.2 t -82.86 -41.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.227 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -71.6 -33.21 68.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.2 mt-10 -62.91 -31.04 72.02 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.196 0.522 . . . . 0.0 110.331 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 62' ' ' VAL . 42.8 mt -55.51 138.01 47.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.651 -176.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.22 120.71 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.504 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.6 -1.55 24.79 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 49' ' ' ILE . 78.0 t -101.46 125.21 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.482 0.658 . . . . 0.0 110.15 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.74 -64.25 1.18 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.737 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 11.0 pt20 -138.83 144.89 39.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.916 0.389 . . . . 0.0 111.098 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.748 HG22 HG13 ' A' ' 47' ' ' VAL . 65.0 t -133.84 119.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.991 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -125.89 96.15 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.834 0.826 . . . . 0.0 110.074 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.795 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -84.3 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.246 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.3 112.78 22.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.92 0.39 . . . . 0.0 110.663 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.9 tm? -71.54 -34.74 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.625 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.98 87.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.663 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.32 -25.23 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.72 0.295 . . . . 0.0 111.66 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.0 40.35 30.39 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.104 -1.046 . . . . 0.0 110.941 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' GLN . 14.3 p -134.58 146.86 50.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 0.0 110.883 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.795 HG22 HG23 ' A' ' 38' ' ' VAL . 21.3 t -119.41 110.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.726 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -97.11 115.27 27.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.748 HG13 HG22 ' A' ' 36' ' ' VAL . 39.1 t -120.21 143.24 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.021 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.43 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 33.6 m -112.07 107.29 16.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.908 174.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.648 HG22 HG22 ' A' ' 33' ' ' VAL . 34.2 pt -115.84 163.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.036 -176.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -95.86 109.51 21.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 170.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.7 p -74.9 -0.48 18.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.66 -173.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -89.92 -11.37 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 109.98 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.62 -68.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.609 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -100.13 144.13 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.0 p -109.09 173.73 6.19 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.108 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 56' ' ' LEU . 7.0 mp -66.55 -36.17 82.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.644 -176.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -58.3 -42.42 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.195 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.49 -42.08 95.58 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.006 0.432 . . . . 0.0 110.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.471 HD12 HG13 ' A' ' 27' ' ' VAL . 48.1 mm -66.87 -46.48 85.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.35 -47.57 92.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.26 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.388 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 30' ' ' LEU . 15.0 p -65.28 -42.58 94.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.586 0.232 . . . . 0.0 111.323 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.97 -49.77 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.375 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 70' ' ' VAL . 22.5 mt-10 -72.89 -25.83 61.22 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.842 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.87 -32.02 73.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 85.3 mm-40 -71.05 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.36 9.41 21.78 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.907 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 61.3 m-85 -96.07 156.35 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.01 0.405 . . . . 0.0 111.371 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.64 112.28 24.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.849 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 11' ' ' VAL . 14.2 m -125.54 164.54 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.576 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.906 -177.238 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 111.212 0.078 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 53.12 -92.85 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.046 0.538 . . . . 0.0 112.018 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.87 106.76 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.3 ptp -97.84 143.92 27.96 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.138 0.495 . . . . 0.0 111.669 -173.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.99 125.1 50.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.389 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 48' ' ' THR . 75.0 mt-30 -105.62 100.4 9.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.07 142.33 49.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 44' ' ' THR . 29.1 m -105.8 104.7 14.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.682 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.78 140.05 39.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.61 -175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 42.9 mt-30 -83.68 127.52 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG21 HG23 ' A' ' 45' ' ' VAL . 38.8 t -119.28 114.55 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.894 0.378 . . . . 0.0 111.672 -173.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 54.9 mt-10 -111.41 134.88 52.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.29 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.58 20.28 3.93 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.274 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 64.3 mtt -77.2 157.95 30.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.631 0.253 . . . . 0.0 110.446 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 t -124.86 -73.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.389 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.02 -163.35 1.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.99 -29.94 69.01 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.628 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -62.87 -40.0 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.582 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 21.4 p -66.76 -23.42 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.411 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.91 -55.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.16 -28.69 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.488 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.07 61.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.6 tt -69.24 -33.82 59.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.45 -52.4 59.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 6.3 p -72.47 -32.48 66.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.463 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 30' ' ' LEU . 66.6 m -55.44 -34.99 64.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.76 0.314 . . . . 0.0 110.38 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 27.3 t -83.64 -43.01 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -65.02 -40.11 94.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.314 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.8 -24.87 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.522 . . . . 0.0 110.663 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 2.2 mm? -64.39 130.01 42.13 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.067 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -71.58 132.0 44.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.04 -2.21 44.35 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.964 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.442 HG11 HG12 ' A' ' 27' ' ' VAL . 80.5 t -95.47 124.71 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 121.294 0.569 . . . . 0.0 110.671 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 6.8 tp10 -91.16 -63.39 1.27 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.462 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.584 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 86.1 mt-30 -122.35 142.23 50.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.77 0.319 . . . . 0.0 111.463 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -133.77 103.41 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.709 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 37.1 ttpt -110.19 96.12 6.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG13 HG22 ' A' ' 45' ' ' VAL . 59.8 t -77.06 117.16 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.997 0.427 . . . . 0.0 110.01 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -100.18 95.15 6.62 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 40' ' ' LEU . 3.1 tm? -69.02 -32.54 72.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.882 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.99 -15.32 63.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.831 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -118.3 -30.53 5.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.745 0.307 . . . . 0.0 111.159 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.97 39.58 8.52 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.517 ' HB ' HG22 ' A' ' 8' ' ' THR . 69.5 p -138.61 166.14 25.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.745 HG23 HG21 ' A' ' 11' ' ' VAL . 72.3 t -134.28 116.79 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.222 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 37' ' ' LYS . 33.3 tt0 -86.28 112.78 21.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.628 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG12 HG23 ' A' ' 49' ' ' ILE . 42.1 t -120.71 130.22 74.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 111.364 -176.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 6' ' ' GLN . 33.0 m -109.33 120.98 44.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.536 HG23 HG12 ' A' ' 47' ' ' VAL . 42.8 pt -124.91 163.0 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.84 100.16 12.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 166.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -77.43 9.57 3.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.972 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -98.19 -3.81 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.21 -64.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.06 148.94 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.934 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -99.62 159.88 14.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.16 -34.91 79.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 3.2 tmtp? -61.19 -40.27 93.28 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.815 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -53.52 -51.69 62.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.472 0.653 . . . . 0.0 110.353 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 63' ' ' ILE . 68.2 mt -65.79 -43.98 93.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.922 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.477 HG13 HG23 ' A' ' 70' ' ' VAL . 79.6 t -55.72 -47.29 79.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -47.17 78.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 30' ' ' LEU . 86.6 t -65.12 -44.17 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.4 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.699 HG21 HG11 ' A' ' 70' ' ' VAL . 70.6 mt -62.77 -47.47 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.734 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 70' ' ' VAL . 41.7 mt-10 -64.41 -30.88 71.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.717 0.294 . . . . 0.0 110.59 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.13 -18.22 64.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.5 -2.5 53.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.36 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.32 44.27 3.03 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.832 177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 66.0 m-85 -132.18 149.66 52.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.08 0.467 . . . . 0.0 111.362 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 20.0 m-20 -100.3 101.78 12.87 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.699 HG11 HG21 ' A' ' 63' ' ' ILE . 31.4 m -116.09 144.17 24.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.935 -176.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.732 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.941 0.4 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -132.48 145.96 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.113 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.12 104.1 2.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.687 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.4 ptp -90.71 144.0 26.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.562 0.696 . . . . 0.0 112.399 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -123.98 136.67 54.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.618 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.439 ' HG2' HG23 ' A' ' 48' ' ' THR . 33.4 mt-30 -108.17 117.3 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.886 0.374 . . . . 0.0 110.103 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 tp -133.73 142.52 48.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.829 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -100.1 107.49 19.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.783 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.54 142.17 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.829 HE22 ' HG2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -96.4 144.8 26.21 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -122.63 108.68 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -172.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.829 ' HG2' HE22 ' A' ' 10' ' ' GLN . 12.3 mm-40 -96.67 115.22 27.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 111.148 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.09 39.45 1.05 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.939 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 14.4 mmt -56.48 116.47 3.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.274 0.559 . . . . 0.0 111.411 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 19' ' ' CYS . 4.9 m -90.73 67.43 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.923 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m 55.63 -117.49 1.14 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.988 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.26 -2.25 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -73.24 -47.17 45.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.397 0.618 . . . . 0.0 110.18 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.555 ' O ' HG22 ' A' ' 23' ' ' ILE . 6.9 p -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.748 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.4 t -51.49 -63.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.229 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -72.17 -33.82 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.779 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.35 65.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.66 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.3 tt -77.12 -34.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -56.64 -45.18 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.5 m -73.1 -42.14 63.3 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' HD23 ' A' ' 30' ' ' LEU . 32.8 p -59.48 -29.25 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.525 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.554 HG12 HG11 ' A' ' 33' ' ' VAL . 60.7 t -82.34 -49.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.67 172.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.769 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.51 -40.13 96.24 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.797 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.32 -26.95 67.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.74 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -61.85 129.86 42.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.348 178.357 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.551 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 43.4 t30 -65.83 129.58 40.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.966 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.06 43.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.409 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG22 HG22 ' A' ' 49' ' ' ILE . 70.9 t -81.24 118.72 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.347 0.594 . . . . 0.0 110.779 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.73 -51.16 8.98 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.483 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 28.1 pt20 -150.24 153.46 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.661 0.267 . . . . 0.0 110.649 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG11 ' HB2' ' A' ' 28' ' ' LYS . 5.0 p -146.15 128.18 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.657 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -128.86 108.18 10.23 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 45' ' ' VAL . 7.4 p -84.4 131.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.303 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -108.79 116.12 31.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -80.75 -38.6 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.07 61.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.146 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.02 -29.01 55.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.816 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.06 33.98 22.28 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.759 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 10' ' ' GLN . 16.9 p -132.95 162.9 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.549 0.214 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 38' ' ' VAL . 44.1 t -132.27 124.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.33 114.11 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG12 HG23 ' A' ' 49' ' ' ILE . 44.4 t -124.21 140.93 46.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.139 0.495 . . . . 0.0 111.406 -175.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 31.4 m -122.14 121.0 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 171.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.1 pt -126.73 156.79 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 111.871 -175.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.54 103.19 14.83 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.4 p -73.18 -4.72 34.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.282 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -90.12 1.98 55.79 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.0 t -127.4 -64.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.422 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 12.4 p -110.05 152.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.09 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -102.63 164.59 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.6 mm? -68.01 -39.38 83.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -36.89 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.357 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 62' ' ' VAL . 10.6 m-20 -60.46 -42.37 96.07 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.556 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 49' ' ' ILE . 68.4 mt -66.96 -47.15 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.307 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 91.6 t -55.73 -45.01 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -45.7 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.127 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -63.95 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.953 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 59' ' ' ILE . 80.3 mt -62.34 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.391 . . . . 0.0 110.735 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.9 mt-10 -65.95 -30.4 70.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.87 -21.94 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.274 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.625 ' HB2' ' HD2' ' A' ' 68' ' ' TYR . 35.7 mt-30 -81.59 -6.75 59.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.36 30.52 6.55 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.322 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.625 ' HD2' ' HB2' ' A' ' 66' ' ' GLN . 97.3 m-85 -118.13 154.61 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 27.6 t70 -111.03 117.67 33.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.76 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.59 121.25 35.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 . . . . . 0 C--O 1.252 1.184 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.789 179.069 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.426 ' HA ' ' HE1' ' A' ' 4' ' ' MET . 45.9 m . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.779 0.323 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -81.9 -63.74 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.182 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -111.43 107.84 17.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 0.0 110.441 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.666 ' HE2' ' HA ' ' A' ' 4' ' ' MET . 16.9 mmt -86.21 104.86 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.409 -174.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 9.9 mm-40 -101.54 107.24 18.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.951 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.04 0.448 . . . . 0.0 110.112 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -123.87 140.18 53.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.494 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -99.93 104.51 16.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.869 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.811 ' HB2' HG23 ' A' ' 45' ' ' VAL . 4.6 mp -91.32 168.08 11.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -117.76 145.67 44.32 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 45' ' ' VAL . 10.9 t -106.06 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.653 -175.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -97.54 108.47 21.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.24 -98.96 0.27 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 mtt 61.15 -176.05 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.507 0.67 . . . . 0.0 112.536 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 t -151.01 -73.84 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.685 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.3 t -152.66 -74.36 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.553 0.216 . . . . 0.0 111.269 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.15 -45.47 0.21 Allowed Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.19 -176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -54.49 -36.47 64.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.004 0.43 . . . . 0.0 111.167 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.5 p -60.68 -28.55 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.252 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 HG13 ' A' ' 38' ' ' VAL . 93.1 t -63.13 -53.21 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.95 -37.97 87.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.233 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -56.3 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.585 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG21 HG21 ' A' ' 38' ' ' VAL . 6.9 tp -65.78 -35.29 74.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 110.737 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.78 -55.69 24.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 16.4 p -71.1 -29.88 65.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.963 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 63' ' ' ILE . 41.5 t -53.56 -38.13 63.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG11 HG11 ' A' ' 47' ' ' VAL . 22.9 t -85.28 -47.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 172.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.628 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.2 tptt -61.94 -30.7 71.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.12 -19.82 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.23 0.538 . . . . 0.0 110.912 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.633 ' HG ' HG12 ' A' ' 59' ' ' ILE . 4.4 mm? -69.27 127.45 33.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.976 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.569 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 64.2 t30 -68.48 112.83 5.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.617 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.34 -9.95 7.76 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.147 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.521 HG22 HG22 ' A' ' 49' ' ' ILE . 81.1 t -87.72 127.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.24 0.543 . . . . 0.0 111.487 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.44 -66.24 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.763 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.93 152.3 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.481 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 47' ' ' VAL . 45.8 t -133.43 118.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.947 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -118.88 99.2 6.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.752 0.31 . . . . 0.0 110.299 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 23' ' ' ILE . 3.5 p -84.36 119.33 33.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.577 0.703 . . . . 0.0 110.006 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.567 ' HB3' ' HB2' ' A' ' 42' ' ' GLU . 1.7 mm-40 -88.61 108.15 19.29 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.491 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.1 tm? -76.07 -28.83 57.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.118 0.485 . . . . 0.0 109.88 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.27 -35.33 55.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.927 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . 43.0 mt-10 -89.57 -32.98 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.444 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.62 33.26 13.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.567 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -133.69 177.98 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.885 0.374 . . . . 0.0 111.564 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.811 HG23 ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -139.53 107.62 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.917 -178.677 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -90.86 108.56 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.623 HG11 HG11 ' A' ' 27' ' ' VAL . 45.1 t -124.62 140.53 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -173.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -109.42 115.57 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.521 HG22 HG22 ' A' ' 33' ' ' VAL . 27.7 pt -115.49 161.56 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 111.178 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 60.3 t0 -101.27 103.82 14.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 29.2 t -78.44 2.4 18.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.9 m -89.84 -1.69 58.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 0.0 109.772 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.49 -58.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.569 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 13.5 p -114.87 146.17 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 p -107.38 164.85 11.84 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 60' ' ' VAL . 55.2 tp -61.37 -40.21 93.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.335 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -62.24 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.229 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.56 -51.99 66.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.871 0.844 . . . . 0.0 109.448 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.633 HG12 ' HG ' ' A' ' 30' ' ' LEU . 60.1 mt -62.86 -48.4 88.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.56 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.528 HG13 HG23 ' A' ' 70' ' ' VAL . 72.1 t -55.76 -44.56 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.887 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.91 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 61.9 t -73.02 -41.42 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 27' ' ' VAL . 71.0 mt -60.9 -49.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.613 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.633 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.1 mt-10 -66.43 -26.51 67.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.534 -177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.59 -24.69 66.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.332 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 79.3 mm-40 -84.19 -4.41 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.782 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.21 41.91 3.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.913 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 52.7 m-85 -136.7 139.96 42.33 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -100.61 94.4 6.09 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG23 HG13 ' A' ' 60' ' ' VAL . 35.9 m -111.19 146.17 16.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.915 -172.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.462 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 11.3 mm-40 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.828 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.713 ' HA ' ' HB2' ' A' ' 52' ' ' SER . 1.1 p-10 -147.85 155.59 41.79 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.59 108.62 2.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.868 0.366 . . . . 0.0 110.566 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 81.9 mtp -83.41 134.74 34.87 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -130.4 147.6 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.312 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -99.97 115.59 30.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.059 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -123.99 157.35 34.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.99 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HB ' ' A' ' 44' ' ' THR . 12.3 m -128.01 105.44 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.958 0.409 . . . . 0.0 110.367 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD23 HG11 ' A' ' 70' ' ' VAL . 11.0 mp -82.95 143.62 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 69.5 mt-30 -95.51 133.41 39.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.442 ' CG2' HG23 ' A' ' 45' ' ' VAL . 9.0 t -115.9 100.55 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.412 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.977 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 16.7 mm-40 -91.94 120.35 32.52 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.5 53.78 0.59 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.063 -177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.8 mtt -97.8 -85.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.545 0.212 . . . . 0.0 111.388 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t 67.63 -75.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.65 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.9 m -92.51 152.77 19.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 0.0 111.62 -173.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -71.82 -21.58 78.92 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.949 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -64.8 -32.65 74.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.811 0.305 . . . . 0.0 110.253 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.41 ' O ' HG22 ' A' ' 23' ' ' ILE . 46.9 m -61.42 -41.91 97.9 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.102 0.477 . . . . 0.0 109.805 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 91.4 t -54.37 -51.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.416 176.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.37 -41.27 98.8 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.63 -56.69 18.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -64.23 -34.5 69.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.916 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB2' HG11 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -54.88 -53.73 51.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.917 0.389 . . . . 0.0 110.262 176.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.549 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.8 m -72.45 -30.65 64.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.205 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -56.6 -31.3 64.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.962 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.436 HG12 HG11 ' A' ' 33' ' ' VAL . 26.3 t -82.93 -53.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 171.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 21.2 ttmm -58.35 -39.95 80.9 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.3 -17.42 64.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.405 -176.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 59' ' ' ILE . 32.2 mt -74.76 165.08 25.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.643 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.462 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 27.9 t-20 -95.68 137.99 33.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.257 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.16 8.96 58.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.514 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG11 HG12 ' A' ' 27' ' ' VAL . 73.3 t -106.09 127.81 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 CA-C-O 121.246 0.545 . . . . 0.0 109.772 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.826 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 8.4 tp10 -96.41 -58.28 2.1 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.059 -177.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.826 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 97.2 mt-30 -138.63 154.85 48.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.453 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -147.22 107.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.328 0.585 . . . . 0.0 110.755 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -108.22 94.94 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG23 HG22 ' A' ' 45' ' ' VAL . 2.1 p -86.34 127.14 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.693 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -115.77 114.26 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.413 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.99 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.48 . . . . 0.0 110.304 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.28 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.797 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -79.38 -32.14 42.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.222 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.36 66.14 Favored Glycine 0 CA--C 1.506 -0.503 0 C-N-CA 120.153 -1.022 . . . . 0.0 110.98 -172.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.442 ' HB ' HG22 ' A' ' 8' ' ' THR . 40.3 p -141.99 166.51 24.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 -176.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 38' ' ' VAL . 40.8 t -129.45 118.64 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.928 175.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -85.26 105.13 15.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG12 HG23 ' A' ' 49' ' ' ILE . 17.3 t -109.7 139.85 31.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.35 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -109.87 103.24 12.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.091 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.507 HG23 HG12 ' A' ' 47' ' ' VAL . 42.8 pt -115.08 168.77 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -177.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 2' ' ' ASN . 8.3 t70 -108.57 106.44 16.52 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 p -76.49 -4.04 40.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -170.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.713 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . 63.4 m -90.66 2.87 55.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.349 0.595 . . . . 0.0 109.955 173.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.7 t -125.41 -65.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.519 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 10.4 p -109.32 141.19 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.5 p -100.15 161.17 13.78 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.556 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.35 -32.58 70.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 2.8 tmtp? -64.22 -43.53 94.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.783 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.98 -44.95 96.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.069 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.516 ' O ' HD13 ' A' ' 63' ' ' ILE . 43.9 mm -57.89 -56.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.081 176.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.571 HG13 ' HG3' ' A' ' 64' ' ' GLU . 4.4 t -55.98 -42.05 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.552 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.38 75.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.711 0.291 . . . . 0.0 111.29 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -77.47 -50.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.232 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 59' ' ' ILE . 1.4 mp -61.01 -46.18 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.987 -175.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' HG13 ' A' ' 60' ' ' VAL . 14.7 mt-10 -69.67 -28.83 66.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.382 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.69 -27.9 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.246 0.545 . . . . 0.0 110.448 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -76.37 2.59 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.147 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 31.31 8.15 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.557 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -119.96 145.85 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.719 0.295 . . . . 0.0 110.22 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.977 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 33.7 t70 -98.31 109.07 21.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 63' ' ' ILE . 26.3 t -127.57 98.56 4.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.708 -174.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.066 177.888 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.647 ' HA ' ' HB2' ' A' ' 52' ' ' SER . 18.4 m120 71.3 132.71 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.877 0.736 . . . . 0.0 111.213 -177.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -147.43 120.47 8.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.919 -177.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.3 mmt -82.39 117.04 22.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -112.97 127.55 56.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.134 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 38.3 mt-30 -111.72 131.95 54.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.46 138.42 36.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -107.99 104.73 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -100.71 144.76 29.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -177.371 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.606 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 91.8 mt-30 -85.49 132.8 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.844 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.672 HG21 HG23 ' A' ' 45' ' ' VAL . 25.3 t -118.73 122.65 69.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 112.129 -172.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.92 138.7 52.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.76 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.41 -5.78 5.94 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.951 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.516 ' SD ' HD22 ' A' ' 40' ' ' LEU . 64.4 mtt -63.94 107.92 1.36 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 110.088 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 m -107.54 -35.26 6.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.15 -177.47 5.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.439 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -64.23 -36.11 92.81 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.745 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -63.11 -20.73 65.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.848 0.324 . . . . 0.0 111.79 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.478 ' O ' HG22 ' A' ' 23' ' ' ILE . 78.7 m -60.97 -35.88 77.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.856 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.616 ' HB ' HD23 ' A' ' 40' ' ' LEU . 3.4 p -65.6 -42.82 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.057 0.456 . . . . 0.0 109.954 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -70.02 -43.13 71.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.175 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.96 67.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.438 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.2 tt -68.34 -34.78 67.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.731 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.27 -48.94 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -71.47 -31.41 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.119 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -53.81 -37.11 63.21 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.619 HG22 HD11 ' A' ' 63' ' ' ILE . 18.9 t -83.53 -55.66 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.931 173.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.27 -30.75 71.34 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -169.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.08 -14.77 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.991 0.424 . . . . 0.0 111.258 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.565 HD12 HD13 ' A' ' 59' ' ' ILE . 26.3 mt -79.11 137.16 37.37 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.758 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -73.11 121.42 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 7.38 17.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.777 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 49' ' ' ILE . 76.2 t -103.87 114.58 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.577 0.703 . . . . 0.0 109.465 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.506 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.7 tp10 -82.44 -56.27 3.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.343 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.506 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 49.1 mt-30 -139.17 157.02 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG23 HG22 ' A' ' 47' ' ' VAL . 3.3 p -164.3 117.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.196 0.522 . . . . 0.0 110.815 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -118.93 112.93 20.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.3 0.571 . . . . 0.0 110.538 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 20' ' ' VAL . 2.1 p -90.05 125.05 42.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.518 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.54 99.06 10.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.956 -177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.616 HD23 ' HB ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -63.87 -43.77 95.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 109.85 -178.451 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.59 72.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.025 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -91.15 -33.14 15.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.084 0.468 . . . . 0.0 111.132 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' HA2' ' HE3' ' A' ' 14' ' ' MET . . . 84.67 26.67 37.72 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.567 -175.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 10' ' ' GLN . 9.4 p -136.26 163.33 30.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.655 0.264 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.672 HG23 HG21 ' A' ' 11' ' ' VAL . 48.2 t -134.19 126.98 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -101.63 115.64 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.676 HG22 HG23 ' A' ' 36' ' ' VAL . 21.8 t -116.44 142.04 31.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.419 -174.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 m -114.57 104.83 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.546 HG23 HG12 ' A' ' 47' ' ' VAL . 42.1 pt -115.45 166.52 9.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.085 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 12.1 t0 -103.63 103.07 12.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 p -72.34 -8.9 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.921 0.391 . . . . 0.0 111.449 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.647 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . 50.8 m -87.6 -8.68 55.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.462 0.648 . . . . 0.0 109.91 175.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.0 t -112.47 -64.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.236 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.97 148.68 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.5 p -92.45 158.95 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.201 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.45 -34.97 77.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -64.06 -38.98 93.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -55.13 -49.67 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.066 0.46 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.565 HD13 HD12 ' A' ' 30' ' ' LEU . 43.9 mm -55.93 -56.34 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.46 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.453 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -50.12 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.654 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 93.4 t -65.1 -43.71 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.239 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.619 HD11 HG22 ' A' ' 27' ' ' VAL . 78.5 mt -59.08 -51.06 77.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 111.09 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.15 -25.12 60.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.83 -28.56 69.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.005 0.431 . . . . 0.0 110.316 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 12.6 mm100 -75.29 -15.18 60.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 178.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.08 30.58 3.37 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.711 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -113.97 159.49 19.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.282 . . . . 0.0 110.515 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -116.73 109.97 17.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 172.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 16.0 m -125.54 127.77 71.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.431 0.634 . . . . 0.0 111.861 -175.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.715 179.32 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.551 0.215 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -136.48 161.64 35.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.23 112.43 4.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.289 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.7 mmm -85.34 117.67 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.002 0.43 . . . . 0.0 111.098 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 8.3 mm-40 -112.22 108.15 17.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 175.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -100.61 103.48 14.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -124.5 156.31 37.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.5 -174.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -110.13 124.52 51.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.188 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.03 144.48 44.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.376 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HA ' HG22 ' A' ' 44' ' ' THR . 28.3 pt20 -85.45 141.02 30.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.339 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.626 HG21 HG23 ' A' ' 45' ' ' VAL . 14.5 t -127.31 115.54 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.727 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.741 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 80.8 mm-40 -104.97 135.86 45.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.88 -24.87 8.18 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.414 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.558 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 25.4 ptt? -92.23 138.15 31.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.487 0.644 . . . . 0.0 111.294 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 p -147.66 -1.04 0.62 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.615 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -124.04 169.83 11.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.828 0.347 . . . . 0.0 111.66 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.4 93.46 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.647 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -58.51 -32.59 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.636 0.255 . . . . 0.0 110.942 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 14' ' ' MET . 57.1 m -59.09 -46.92 87.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' A' ' 38' ' ' VAL . 51.3 t -54.93 -54.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -61.46 -37.38 83.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.95 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.591 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.608 HG23 HG21 ' A' ' 38' ' ' VAL . 10.3 tt -77.95 -34.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.224 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.96 -50.38 70.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.892 0.377 . . . . 0.0 110.102 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.3 p -72.7 -30.11 63.95 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.107 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -53.83 -34.2 58.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.67 HG12 HG11 ' A' ' 33' ' ' VAL . 20.4 t -83.27 -51.14 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.934 173.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 18.5 tppt? -64.22 -30.81 71.85 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.89 -29.94 67.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.818 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.612 HD12 HD13 ' A' ' 59' ' ' ILE . 44.2 mt -77.16 151.83 35.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.044 -178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 72.0 m-20 -87.22 127.73 35.16 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.63 12.05 23.67 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.67 HG11 HG12 ' A' ' 27' ' ' VAL . 54.9 t -106.42 114.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.26 0.552 . . . . 0.0 111.309 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.776 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 10.9 tp10 -87.92 -65.65 0.99 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.627 -178.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.776 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 81.4 mt-30 -122.17 141.86 51.01 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.054 -176.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.46 102.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.543 0.687 . . . . 0.0 110.135 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -109.3 100.18 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 20' ' ' VAL . 57.8 t -82.22 115.49 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.95 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 14.5 mm-40 -95.99 98.42 10.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.978 0.418 . . . . 0.0 110.367 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.7 -39.67 94.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.798 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.28 71.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.702 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -97.62 -26.9 14.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.682 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.27 21.05 59.38 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.475 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 10' ' ' GLN . 34.3 p -133.8 161.83 33.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG23 HG21 ' A' ' 11' ' ' VAL . 57.3 t -131.16 131.8 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.351 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -100.86 118.08 36.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG12 HG23 ' A' ' 49' ' ' ILE . 61.6 t -122.31 133.42 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 m -110.2 111.07 22.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.53 HG23 HG12 ' A' ' 47' ' ' VAL . 26.3 pt -114.59 168.34 6.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 0.0 111.288 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -101.59 101.64 12.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.356 168.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.411 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 44.6 t -75.94 0.13 19.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.139 -174.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -84.98 -9.22 58.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.341 0.591 . . . . 0.0 109.736 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.9 -67.72 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.504 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.7 p -100.2 150.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.326 -177.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -98.11 165.14 12.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.22 -32.93 72.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.856 0.36 . . . . 0.0 110.153 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -63.31 -40.22 96.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -54.78 -49.87 69.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.114 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.624 HD12 HG13 ' A' ' 27' ' ' VAL . 44.1 mm -54.46 -57.46 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.746 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.71 -45.33 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.369 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.11 80.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.514 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.02 -37.92 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.819 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.6 mt -60.79 -47.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.9 -28.32 68.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.714 0.292 . . . . 0.0 110.769 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.52 -23.78 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.244 0.545 . . . . 0.0 110.651 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.62 -14.49 59.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.212 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.47 37.42 1.93 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.109 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -125.63 154.31 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 110.405 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 32.7 t70 -106.86 109.16 20.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -128.75 112.22 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.158 0.504 . . . . 0.0 110.406 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.698 -178.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.853 0.359 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 8.1 ptp -94.86 124.63 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.519 0.676 . . . . 0.0 112.104 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.09 135.71 49.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.808 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -91.63 105.77 17.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.53 135.54 53.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -112.72 114.07 26.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.402 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 9' ' ' LEU . 6.5 mp -99.19 128.37 45.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.476 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -80.65 133.44 35.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 45' ' ' VAL . 12.3 t -121.21 118.26 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.668 -168.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 12.9 mm-40 -104.99 108.41 19.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.59 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -6.31 1.0 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.305 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 23' ' ' ILE . 61.4 mtm -93.63 90.27 6.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.282 0.541 . . . . 0.0 110.506 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -101.15 -14.95 17.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.656 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -125.08 162.5 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.989 0.423 . . . . 0.0 111.797 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.6 -33.47 67.25 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.694 -0.685 . . . . 0.0 113.226 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -65.02 -22.57 67.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.283 0.542 . . . . 0.0 110.671 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' HG22 ' A' ' 23' ' ' ILE . 60.8 m -63.96 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.161 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -50.29 -60.89 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.929 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.03 -40.56 94.05 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.991 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.62 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.187 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.8 tt -67.65 -37.92 79.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 11.6 pt-20 -61.05 -42.54 98.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.85 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 37.4 m -73.07 -34.93 66.53 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.185 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 m -53.64 -36.75 62.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.99 0.424 . . . . 0.0 110.087 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 59' ' ' ILE . 19.1 t -82.81 -49.26 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.375 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 4.2 tmtt? -58.15 -41.94 84.82 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 25' ' ' SER . 54.1 mt-10 -63.01 -24.42 67.91 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.942 0.401 . . . . 0.0 110.886 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.07 120.52 15.04 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 125.78 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 0.0 110.698 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.09 -22.07 9.9 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.0 t -80.53 130.88 35.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.03 0.443 . . . . 0.0 110.013 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -91.56 -68.73 0.78 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.508 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -136.88 149.8 47.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.706 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 HG13 ' A' ' 47' ' ' VAL . 33.6 m -127.69 132.26 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 110.334 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 84.8 mttt -114.33 92.91 4.12 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 p -87.82 111.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.409 0.623 . . . . 0.0 110.013 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -100.6 94.08 5.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.736 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.19 -48.95 77.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.951 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.36 62.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.958 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.79 -25.56 18.09 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.244 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 27.76 50.99 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.755 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.4 p -136.17 149.06 48.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.024 0.44 . . . . 0.0 111.699 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.727 HG23 HG21 ' A' ' 11' ' ' VAL . 60.9 t -123.71 112.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.785 174.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 37.5 tt0 -93.36 109.64 21.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.644 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.574 HG13 HG12 ' A' ' 36' ' ' VAL . 27.0 t -116.74 135.0 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.873 0.368 . . . . 0.0 111.501 -174.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 4' ' ' MET . 7.6 m -96.83 110.12 22.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.4 pt -115.74 146.94 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.901 0.381 . . . . 0.0 111.724 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -87.44 102.55 14.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 t -75.62 0.97 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.552 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.5 t -91.52 1.04 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.256 0.55 . . . . 0.0 109.78 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.0 t -131.48 -62.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.584 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.03 146.83 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.728 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.457 ' O ' HG12 ' A' ' 59' ' ' ILE . 21.8 p -97.32 168.91 10.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.748 0.309 . . . . 0.0 110.583 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.81 -37.14 73.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -64.43 -42.85 95.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.315 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.2 -47.69 68.7 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 HG13 ' A' ' 27' ' ' VAL . 46.0 mm -56.17 -55.69 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.522 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.492 HG13 HG23 ' A' ' 70' ' ' VAL . 88.3 t -60.27 -49.38 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -48.14 74.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.73 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 96.7 t -66.57 -44.45 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.908 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.454 HG21 HG11 ' A' ' 70' ' ' VAL . 62.6 mt -58.46 -48.78 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.281 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.595 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 31.3 mt-10 -68.02 -33.17 74.1 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.993 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.82 -31.66 72.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.059 0.456 . . . . 0.0 110.189 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 15.1 mm100 -74.58 -8.83 57.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.946 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.58 36.8 2.74 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.388 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 53.5 m-85 -128.52 148.71 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.965 0.383 . . . . 0.0 110.476 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 24.8 t70 -105.29 112.91 26.2 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.492 HG23 HG13 ' A' ' 60' ' ' VAL . 16.0 m . . . . . 0 C--N 1.32 -0.696 0 CA-C-O 120.972 0.415 . . . . 0.0 111.239 -175.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.8 ptm -90.17 128.42 36.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.636 0.732 . . . . 0.0 111.838 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 48' ' ' THR . 51.4 mm-40 -110.41 149.51 30.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 98.8 mt-30 -123.44 97.86 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.017 0.436 . . . . 0.0 110.296 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.61 HD22 HD12 ' A' ' 56' ' ' LEU . 50.9 tp -100.44 128.99 46.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.629 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -109.03 104.78 14.06 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.94 142.44 39.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 0.0 111.296 -176.221 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HA ' HG22 ' A' ' 44' ' ' THR . 46.2 mt-30 -81.33 138.46 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.109 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.803 HG21 HG23 ' A' ' 45' ' ' VAL . 56.9 t -113.15 115.57 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.946 0.403 . . . . 0.0 111.747 -173.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -96.63 109.92 22.45 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.24 -106.33 0.29 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.243 -0.503 . . . . 0.0 111.887 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.9 mmt 61.49 178.29 0.12 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.365 0.666 . . . . 0.0 112.376 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -174.34 -52.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.494 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -149.29 -169.49 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.354 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.72 -13.03 83.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.647 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -64.85 -50.48 66.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.569 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 25.4 p -64.64 -24.12 67.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.11 -49.14 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -68.74 -33.25 73.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.915 0.388 . . . . 0.0 110.255 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.33 -57.9 10.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.388 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG23 HG21 ' A' ' 38' ' ' VAL . 12.8 tt -63.75 -33.9 64.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.975 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.07 -53.63 40.02 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.646 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 24.7 m -71.81 -31.74 66.87 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.535 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -53.82 -37.77 63.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.961 0.41 . . . . 0.0 110.001 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 47' ' ' VAL . 19.4 t -83.21 -48.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.511 172.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.646 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 29.0 tptp -59.14 -37.78 78.08 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.47 -25.43 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.055 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.323 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.69 124.77 24.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.013 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.13 -15.47 33.26 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.918 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.429 HG22 HG22 ' A' ' 49' ' ' ILE . 87.3 t -81.41 125.89 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.18 0.514 . . . . 0.0 110.824 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.99 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 3.8 tp10 -89.52 -67.08 0.86 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.58 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.99 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 94.1 mt-30 -134.61 145.52 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.845 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 47' ' ' VAL . 38.3 t -129.13 123.29 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.037 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.783 ' HG3' ' HB3' ' A' ' 46' ' ' GLU . 14.5 ptmt -123.32 94.58 4.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.311 0.577 . . . . 0.0 110.449 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.795 HG13 HG22 ' A' ' 45' ' ' VAL . 54.2 t -87.33 130.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.816 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -109.22 123.13 48.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.394 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -45.78 15.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.125 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.57 -54.94 41.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.912 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.28 -31.13 63.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.702 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.96 40.82 29.37 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 10' ' ' GLN . 18.1 p -133.88 147.13 51.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.849 0.356 . . . . 0.0 110.228 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.803 HG23 HG21 ' A' ' 11' ' ' VAL . 95.1 t -115.54 121.05 66.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.028 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.783 ' HB3' ' HG3' ' A' ' 37' ' ' LYS . 27.9 tt0 -106.45 124.52 49.72 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 27' ' ' VAL . 43.0 t -126.42 135.91 62.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.954 0.407 . . . . 0.0 111.401 -175.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 18.0 m -104.9 112.64 25.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 26.6 pt -121.57 154.08 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.624 -175.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -88.71 98.68 11.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 m -78.8 3.02 17.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.657 -170.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.8 m -80.8 -11.2 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.172 0.511 . . . . 0.0 109.722 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -121.19 -63.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.588 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 51' ' ' SER . 12.3 p -102.18 141.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.4 p -97.07 172.22 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.76 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.61 HD12 HD22 ' A' ' 7' ' ' LEU . 3.6 mm? -70.25 -31.3 68.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.3 -43.07 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.003 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.33 -45.6 80.27 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.01 0.433 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.436 HD12 HG13 ' A' ' 27' ' ' VAL . 49.2 mm -58.8 -54.98 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.5 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.6 -43.67 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.6 89.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.543 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 95.0 t -75.11 -34.64 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.86 0.362 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.68 -49.54 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.45 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 32.1 mt-10 -66.17 -26.42 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.248 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.3 -24.8 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 73.2 mm-40 -80.71 -2.28 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.59 26.6 8.51 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.623 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 57.7 m-85 -114.85 149.44 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.44 100.98 9.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 171.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 11' ' ' VAL . 15.7 m . . . . . 0 C--N 1.318 -0.77 0 CA-C-O 121.364 0.602 . . . . 0.0 112.23 -171.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.945 0.403 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 52.3 mtt -83.18 109.21 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.253 0.549 . . . . 0.0 112.258 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -104.7 142.33 34.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.753 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -108.83 96.92 6.65 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 3.0 mm? -92.83 125.53 37.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 9.4 m -111.85 104.71 13.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.871 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.533 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -103.63 146.51 28.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.885 -176.212 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 26.6 mt-30 -76.29 131.61 39.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.52 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.72 HG21 HG23 ' A' ' 45' ' ' VAL . 23.2 t -113.77 107.48 23.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.803 0.335 . . . . 0.0 111.431 -175.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.889 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 61.1 mm-40 -88.97 118.64 28.83 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.62 25.52 1.41 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.564 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.513 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 19.4 mmt -73.51 112.08 9.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.367 . . . . 0.0 110.251 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.657 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 43.3 t -102.28 -76.85 0.57 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.507 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -141.24 -177.15 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.603 0.24 . . . . 0.0 111.277 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.17 -40.61 84.27 Favored Glycine 0 CA--C 1.521 0.452 0 CA-C-N 115.921 -0.582 . . . . 0.0 114.332 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -61.13 -27.52 68.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 117.418 0.609 . . . . 0.0 111.447 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 31.2 m -64.17 -28.48 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.14 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.649 HG13 HG13 ' A' ' 38' ' ' VAL . 73.0 t -58.67 -56.24 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.404 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -61.91 -39.86 93.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.378 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -62.21 1.81 Allowed 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.592 0.557 . . . . 0.0 111.117 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 19' ' ' CYS . 11.0 tt -67.58 -34.61 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.004 -177.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.88 -60.01 3.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.432 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.6 m -73.17 -30.79 63.81 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.837 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -53.61 -34.53 58.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.318 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.647 HG13 HD12 ' A' ' 59' ' ' ILE . 35.4 t -84.02 -48.17 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 33' ' ' VAL . 61.7 tttm -64.08 -31.56 72.8 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.76 -11.61 61.06 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 111.266 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.661 HD12 HD13 ' A' ' 59' ' ' ILE . 30.4 mt -78.0 172.37 13.6 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -85.04 153.05 22.98 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.29 17.51 66.22 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.065 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 28' ' ' LYS . 77.8 t -103.13 115.71 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-O 121.551 0.691 . . . . 0.0 110.021 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -87.24 -55.61 3.73 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.775 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.44 153.86 31.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.737 HG12 HG13 ' A' ' 47' ' ' VAL . 35.9 m -130.73 156.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.341 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -144.19 93.95 2.51 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.649 HG13 HG13 ' A' ' 20' ' ' VAL . 2.3 p -87.89 109.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.395 0.617 . . . . 0.0 109.742 175.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -91.23 102.39 15.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.755 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.87 -47.66 82.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.193 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.33 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 111.532 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -82.79 -22.95 34.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.513 ' HA2' ' HG3' ' A' ' 14' ' ' MET . . . 72.15 28.13 68.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.842 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -132.25 153.7 50.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 110.713 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 HG21 ' A' ' 11' ' ' VAL . 76.6 t -129.93 120.11 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.077 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.6 tt0 -99.59 126.33 45.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.737 HG13 HG12 ' A' ' 36' ' ' VAL . 39.3 t -123.56 128.68 74.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.566 178.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -96.61 103.19 15.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.661 HG23 HG12 ' A' ' 47' ' ' VAL . 23.3 pt -117.08 162.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.157 0.503 . . . . 0.0 111.404 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -91.21 107.26 19.08 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.929 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.3 p -76.07 0.67 17.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -94.4 -7.1 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.31 -54.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.623 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -109.39 152.24 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -95.19 156.85 16.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 57' ' ' LYS . 4.4 pp -68.06 -28.8 67.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.453 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.3 tmtt? -64.72 -37.1 86.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -56.42 -46.71 80.09 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.661 HD13 HD12 ' A' ' 30' ' ' LEU . 42.7 mm -55.43 -56.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.215 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.622 HG13 HG23 ' A' ' 70' ' ' VAL . 60.7 t -57.37 -45.52 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.362 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.26 81.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.494 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 76.4 t -73.21 -43.87 56.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.695 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.3 mt -58.12 -52.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.694 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 42.8 mt-10 -64.18 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.986 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.4 -25.9 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 33.0 mm-40 -77.0 -9.79 58.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.35 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 43.53 1.3 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 81.2 m-85 -136.45 150.97 48.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.389 . . . . 0.0 110.449 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.889 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 9.1 m-20 -108.17 102.14 11.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.566 173.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.622 HG23 HG13 ' A' ' 60' ' ' VAL . 29.9 m . . . . . 0 C--N 1.318 -0.801 0 CA-C-O 121.272 0.558 . . . . 0.0 110.89 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.9 mmm -84.3 121.15 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -126.83 138.15 53.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.728 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -107.84 109.74 21.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -111.62 142.13 44.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -104.0 109.89 21.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.68 145.09 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.761 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -96.61 126.63 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.634 HG21 HG23 ' A' ' 45' ' ' VAL . 13.9 t -115.33 110.54 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.528 -170.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 8.1 mm-40 -93.1 130.99 38.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.368 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.05 68.41 1.29 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.459 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.488 ' SD ' HD22 ' A' ' 40' ' ' LEU . 52.9 mtt -97.24 -167.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.669 -0.313 . . . . 0.0 110.428 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -125.6 -81.7 0.63 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.957 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 t -167.82 -74.23 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.219 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.57 -53.43 0.23 Allowed Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.87 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -67.07 -24.34 65.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.065 0.459 . . . . 0.0 111.183 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.606 ' O ' HG22 ' A' ' 23' ' ' ILE . 8.8 p -63.04 -23.92 67.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.773 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.43 -57.94 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.019 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.04 -33.56 76.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.9 -56.41 21.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.748 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 19' ' ' CYS . 6.9 tp -66.81 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.995 0.426 . . . . 0.0 110.626 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -51.5 -55.02 21.24 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.551 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 14.7 p -73.17 -33.41 65.42 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.227 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.6 p -56.43 -32.7 65.14 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.208 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.565 HG13 HD12 ' A' ' 59' ' ' ILE . 22.7 t -82.94 -45.96 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 172.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.62 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 56.7 tptt -64.03 -31.76 73.06 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.66 -24.9 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.395 0.616 . . . . 0.0 110.473 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD21 HG21 ' A' ' 62' ' ' VAL . 43.4 mt -74.3 147.93 41.86 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.667 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -82.5 127.12 33.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 2.56 32.29 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.646 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 49' ' ' ILE . 74.3 t -105.03 122.76 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.823 0.344 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 24.1 mm-40 -90.93 -67.99 0.82 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.812 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -124.74 141.32 52.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.582 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.66 98.01 4.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.84 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 45.0 mtmt -95.05 93.52 7.42 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.163 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.29 117.07 29.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.292 0.568 . . . . 0.0 110.485 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -96.5 93.36 6.75 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD22 ' SD ' ' A' ' 14' ' ' MET . 0.4 OUTLIER -62.71 -36.25 82.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.566 -173.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.29 -13.76 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.185 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.57 -35.7 4.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.963 0.411 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.84 28.43 13.98 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.391 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 p -130.15 151.78 50.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.672 0.272 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 HG21 ' A' ' 11' ' ' VAL . 69.3 t -129.82 120.89 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.848 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 52.6 mt-10 -94.16 118.81 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 27' ' ' VAL . 30.4 t -119.39 135.53 59.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.821 0.343 . . . . 0.0 111.439 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 34' ' ' GLU . 2.4 m -96.94 104.23 16.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.647 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.618 HG22 HG22 ' A' ' 33' ' ' VAL . 43.8 pt -115.55 151.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 111.252 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -90.02 99.85 12.79 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 169.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -72.5 -3.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.3 m -92.55 0.9 57.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.28 0.562 . . . . 0.0 109.873 174.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.58 -70.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.187 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -99.81 144.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -104.42 166.42 10.41 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.186 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.18 -37.79 81.28 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.807 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.544 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.3 -42.85 87.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.559 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -62.51 -42.51 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 110.031 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.565 HD12 HG13 ' A' ' 27' ' ' VAL . 35.7 mm -59.07 -51.58 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.597 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 t -54.0 -46.61 65.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.836 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.65 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.632 HG21 HD21 ' A' ' 30' ' ' LEU . 60.2 t -69.81 -45.42 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 49.5 mt -56.75 -51.57 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.647 0.261 . . . . 0.0 111.632 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 28.0 mt-10 -67.07 -31.41 71.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.983 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.52 -25.32 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.29 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.6 mm100 -79.47 -12.23 59.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.208 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.86 25.26 4.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.112 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 96.4 m-85 -113.52 153.33 28.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 110.476 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 28.6 t70 -109.85 112.42 24.44 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG11 HG21 ' A' ' 63' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.318 -0.772 0 CA-C-O 121.289 0.566 . . . . 0.0 110.679 -174.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.899 0.381 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.7 mmm -87.92 114.46 24.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.104 -173.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -115.22 126.86 55.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.116 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -111.25 113.94 26.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.808 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.03 145.18 50.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.738 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m -105.33 113.08 26.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.103 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.61 146.85 27.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 -177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.758 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.2 pt20 -94.35 128.73 41.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 t -107.81 101.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.738 -174.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.87 117.07 29.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.2 34.7 0.93 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.49 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 mtt -78.62 138.27 38.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 111.585 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -92.74 3.48 55.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.984 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.1 t 70.02 139.69 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.634 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.19 -79.99 0.62 Allowed Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.548 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -58.35 -30.42 66.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.878 0.37 . . . . 0.0 111.233 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 23' ' ' ILE . 19.4 p -63.15 -27.23 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.8 -57.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.708 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -63.23 -38.91 93.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.964 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.75 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.839 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 19' ' ' CYS . 10.5 tp -69.48 -39.58 78.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.635 -176.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.6 -50.82 71.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.713 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.567 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 23.9 p -72.46 -32.34 66.17 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.432 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -53.32 -41.14 65.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.766 HG11 HG11 ' A' ' 47' ' ' VAL . 21.2 t -84.24 -43.6 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.288 174.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 40.3 ttmt -64.27 -32.73 74.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -173.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.6 mt-10 -67.34 -30.72 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.997 0.427 . . . . 0.0 110.45 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 62' ' ' VAL . 52.9 mt -62.33 138.99 58.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.045 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -78.11 120.64 23.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.12 15.6 8.34 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.471 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 49' ' ' ILE . 71.4 t -118.53 127.09 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 121.16 0.505 . . . . 0.0 109.885 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.87 -52.92 4.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.029 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.5 148.48 28.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.673 HG13 HG22 ' A' ' 47' ' ' VAL . 22.3 t -127.85 116.22 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.667 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -114.53 94.83 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -83.16 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -108.81 98.36 7.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.535 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.64 -44.04 97.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -44.43 63.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.2 -19.29 25.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.868 0.366 . . . . 0.0 111.552 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.33 44.47 13.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.459 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.758 HG22 ' HA ' ' A' ' 10' ' ' GLN . 1.4 p -145.25 161.55 39.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 38' ' ' VAL . 8.7 t -134.45 127.96 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -97.77 107.4 19.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.347 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.766 HG11 HG11 ' A' ' 27' ' ' VAL . 36.4 t -113.65 140.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.576 -172.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -113.04 110.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 33' ' ' VAL . 18.3 pt -115.54 167.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -100.44 104.46 15.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -74.28 1.09 12.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -93.07 -6.38 48.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.17 0.509 . . . . 0.0 110.243 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -122.52 -51.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.99 -177.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -111.81 151.46 13.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.1 p -104.14 161.34 14.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.295 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.26 -35.04 77.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.7 tmtm? -63.61 -39.58 94.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 62' ' ' VAL . 63.9 m-20 -56.12 -49.62 73.4 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.036 0.446 . . . . 0.0 109.919 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.611 HD12 HG13 ' A' ' 27' ' ' VAL . 41.7 mm -55.84 -57.37 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.298 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.6 HG13 HG23 ' A' ' 70' ' ' VAL . 74.2 t -56.6 -50.59 72.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.104 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.05 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.833 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 86.8 t -66.31 -37.63 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.721 0.295 . . . . 0.0 110.633 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.6 mt -65.85 -50.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.366 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.86 -29.23 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.06 -23.72 67.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.105 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 61.4 mm-40 -82.85 0.64 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.757 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.89 44.47 3.34 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.091 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' HB2' ' A' ' 66' ' ' GLN . 71.0 m-85 -131.78 157.93 42.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.686 0.279 . . . . 0.0 110.737 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -111.5 108.8 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.62 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.6 HG23 HG13 ' A' ' 60' ' ' VAL . 35.7 m . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.258 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.721 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -86.39 132.75 33.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.58 . . . . 0.0 111.453 -178.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' THR . 52.5 mm-40 -111.53 143.73 41.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.111 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -100.14 95.45 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.415 HD13 ' HG ' ' A' ' 56' ' ' LEU . 96.8 mt -109.59 121.66 45.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.096 -175.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 46' ' ' GLU . 90.1 m -98.99 104.72 16.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.949 178.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.542 HD11 ' HB ' ' A' ' 45' ' ' VAL . 1.5 pp -101.0 147.96 25.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.715 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -91.02 142.83 27.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.146 0.498 . . . . 0.0 110.78 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.673 HG21 HG23 ' A' ' 45' ' ' VAL . 17.6 t -118.54 121.18 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.6 -174.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -109.52 125.53 52.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.807 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.14 47.49 1.14 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.2 mmt -76.62 125.03 28.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.654 -0.321 . . . . 0.0 110.439 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 7.1 m -65.44 -69.2 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.541 -177.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p -164.38 -81.81 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.65 -53.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -61.47 -15.41 37.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 111.189 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.58 ' O ' HG22 ' A' ' 23' ' ' ILE . 7.4 p -60.25 -31.88 70.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.637 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG13 ' HB ' ' A' ' 38' ' ' VAL . 96.3 t -61.85 -50.38 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.53 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.79 -44.01 94.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.637 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -56.95 15.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.433 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.698 HG23 HG21 ' A' ' 38' ' ' VAL . 11.4 tt -67.14 -34.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.974 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.34 -53.96 49.65 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.444 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.405 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 8.1 p -72.06 -32.27 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.581 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -54.72 -36.93 65.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.127 0.489 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG13 HD12 ' A' ' 59' ' ' ILE . 58.3 t -83.08 -45.41 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.72 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 63.6 tttm -67.42 -31.5 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -171.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.01 -25.91 66.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 120.987 0.423 . . . . 0.0 110.646 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.31 133.44 54.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.58 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.22 114.43 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.65 -4.48 13.16 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.906 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 49' ' ' ILE . 70.7 t -94.85 115.11 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.55 0.691 . . . . 0.0 110.618 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.75 -56.11 4.78 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.058 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -149.96 155.77 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.612 HG23 HG22 ' A' ' 47' ' ' VAL . 3.2 p -148.4 116.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.606 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -108.2 107.55 18.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.617 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HG13 ' A' ' 20' ' ' VAL . 50.9 t -85.19 115.38 26.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.358 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -100.54 102.2 13.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.203 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -66.95 -48.0 69.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.357 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -29.95 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.255 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -93.93 -29.34 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.911 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.56 36.36 16.93 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.779 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -138.09 162.9 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.918 0.389 . . . . 0.0 110.644 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG23 HG21 ' A' ' 11' ' ' VAL . 97.3 t -133.62 117.35 26.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 8' ' ' THR . 19.4 mt-10 -94.49 108.74 20.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.658 HG12 HG23 ' A' ' 49' ' ' ILE . 6.1 t -112.55 136.56 48.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.974 -175.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 26.4 m -112.25 101.63 9.85 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.739 HG22 HG22 ' A' ' 33' ' ' VAL . 33.0 pt -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.013 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -74.2 99.44 3.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.5 p -76.04 8.01 3.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.468 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 m -90.16 -16.68 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.271 0.558 . . . . 0.0 109.737 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.92 -65.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.951 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -99.84 140.4 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -95.67 166.08 12.0 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HG ' HD13 ' A' ' 7' ' ' LEU . 3.1 tm? -63.78 -30.98 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -64.1 -43.82 94.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.81 -44.7 78.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.31 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.616 HD12 HG13 ' A' ' 27' ' ' VAL . 46.0 mm -57.97 -55.87 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.387 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG13 ' HB ' ' A' ' 70' ' ' VAL . 58.2 t -63.08 -41.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.034 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.8 78.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.021 0.439 . . . . 0.0 111.365 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.6 t -73.49 -45.79 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.7 mt -54.15 -51.71 44.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.56 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 52.1 mt-10 -63.9 -32.87 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.191 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.49 -24.88 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.0 110.838 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.59 -14.68 61.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.998 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.22 42.71 0.75 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.886 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 84.9 m-85 -137.59 162.04 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.91 128.15 47.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.522 ' HB ' HG13 ' A' ' 60' ' ' VAL . 62.2 t . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.992 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.516 0.198 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.2 mmm -82.73 113.05 20.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -114.34 142.23 46.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.707 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -116.48 113.19 22.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -115.14 168.59 9.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.832 0.348 . . . . 0.0 111.124 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.6 m -133.36 118.93 19.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.247 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -114.09 144.92 42.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.359 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.8 pt20 -77.69 141.82 39.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.435 ' HA ' HG12 ' A' ' 70' ' ' VAL . 2.1 p -117.97 102.86 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.609 0.718 . . . . 0.0 111.271 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 21.3 mm-40 -98.79 127.36 44.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.558 173.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.41 8.27 4.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.059 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.48 ' SD ' HD22 ' A' ' 40' ' ' LEU . 62.2 mtm -67.8 157.62 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.758 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 t -147.53 -72.64 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 0.0 110.458 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -121.43 -170.52 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.73 -20.73 68.57 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.841 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -73.55 -26.84 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.686 -0.302 . . . . 0.0 111.328 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.1 p -65.92 -26.35 67.56 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.764 HG13 ' HB ' ' A' ' 38' ' ' VAL . 91.1 t -58.54 -54.22 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.676 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.67 -41.43 81.55 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.56 -60.57 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.513 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.469 HG23 HG21 ' A' ' 38' ' ' VAL . 13.6 tt -70.7 -33.56 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.618 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 36' ' ' VAL . 36.0 tt0 -51.95 -55.63 19.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.476 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.555 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.3 m -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.63 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' HD23 ' A' ' 30' ' ' LEU . 68.4 m -55.73 -34.56 65.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.334 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 63' ' ' ILE . 15.1 t -84.25 -52.83 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.7 tptt -55.86 -41.37 74.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -62.58 -32.98 74.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.46 . . . . 0.0 111.104 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 1.6 mm? -55.94 130.01 42.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.305 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.531 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 13.7 t-20 -69.46 116.14 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.2 -9.71 11.04 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -90.62 134.33 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.431 177.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -99.47 -69.69 0.76 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.002 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -132.63 145.68 51.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.834 0.35 . . . . 0.0 111.439 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.539 HG12 HG13 ' A' ' 47' ' ' VAL . 22.0 m -134.99 137.0 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -129.23 95.79 4.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.125 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.764 ' HB ' HG13 ' A' ' 20' ' ' VAL . 47.1 t -78.41 122.89 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.06 177.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -104.92 105.73 15.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD22 ' SD ' ' A' ' 14' ' ' MET . 1.1 tm? -65.3 -40.29 93.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.771 -175.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.24 83.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.255 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.23 -26.72 23.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.74 28.09 48.14 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.069 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -133.47 162.07 32.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG22 HG13 ' A' ' 38' ' ' VAL . 48.8 t -127.98 125.81 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -92.72 130.81 38.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.539 HG13 HG12 ' A' ' 36' ' ' VAL . 52.9 t -133.59 130.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.389 . . . . 0.0 111.509 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -99.21 109.53 22.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.197 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.533 HG23 HG12 ' A' ' 47' ' ' VAL . 35.6 pt -115.81 168.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.146 0.498 . . . . 0.0 110.955 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 12.3 t0 -103.9 101.81 11.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.5 t -77.56 4.11 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.296 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 m -98.04 -3.27 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.207 0.527 . . . . 0.0 109.976 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.8 t -120.7 -64.41 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.479 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.6 p -102.06 154.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.004 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -100.27 164.77 11.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 pp -75.32 -30.16 60.23 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.899 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.8 tmtm? -68.08 -43.88 77.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.21 -48.84 75.64 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.677 HG21 HG13 ' A' ' 27' ' ' VAL . 55.6 mt -58.95 -54.44 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.482 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.589 HG13 HG23 ' A' ' 70' ' ' VAL . 50.5 t -55.57 -42.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.95 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.785 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 30' ' ' LEU . 77.8 t -66.5 -43.32 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 27' ' ' VAL . 64.6 mt -62.92 -47.29 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.582 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 35.6 mt-10 -68.7 -25.27 64.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.682 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.44 -20.17 65.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -79.71 -10.4 59.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.427 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.28 2.74 33.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.343 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.56 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 98.7 m-85 -91.27 158.03 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 0.0 110.949 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 4.7 m-20 -116.74 104.88 11.79 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 171.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 60' ' ' VAL . 34.0 m . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.558 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.347 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.3 mmm -86.72 97.0 10.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.515 -174.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -101.64 130.4 47.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.517 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -98.83 108.23 20.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.61 145.46 42.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.812 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.1 m -109.94 104.94 13.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.936 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.33 136.48 32.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.249 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.631 ' HA ' HG22 ' A' ' 44' ' ' THR . 16.0 pt20 -92.15 118.73 31.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.42 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.549 ' HA ' HG22 ' A' ' 70' ' ' VAL . 13.5 t -108.6 100.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.179 -175.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -98.59 116.11 30.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.507 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.91 42.88 0.76 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.846 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -58.58 149.88 24.48 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.043 0.449 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 t -82.08 -74.99 0.32 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.189 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.63 -90.32 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.92 -54.51 0.07 OUTLIER Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.122 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -61.03 -22.32 64.44 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.24 0.543 . . . . 0.0 110.638 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.2 p -61.45 -24.48 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.972 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG13 HG13 ' A' ' 38' ' ' VAL . 75.1 t -56.98 -56.96 11.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 O-C-N 123.198 0.311 . . . . 0.0 110.7 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -69.44 -32.22 71.03 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.645 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -56.42 22.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.18 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.7 tt -68.43 -34.6 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.715 0.293 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.33 -52.82 60.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 46.2 m -72.4 -30.34 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.47 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.595 ' HB3' HG12 ' A' ' 62' ' ' VAL . 73.4 m -53.58 -37.77 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 59' ' ' ILE . 46.9 t -83.34 -51.79 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.046 173.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 24.7 ttmm -58.4 -40.05 81.37 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.84 -22.77 67.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 111.567 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 59' ' ' ILE . 16.4 mt -71.4 132.95 45.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.475 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 26.8 t-20 -72.93 127.61 33.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.021 0.438 . . . . 0.0 111.16 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.65 0.61 27.56 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.433 HG11 HG12 ' A' ' 27' ' ' VAL . 77.0 t -95.33 122.51 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.294 0.568 . . . . 0.0 110.867 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -67.42 0.76 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -136.03 148.71 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.647 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' HB ' ' A' ' 27' ' ' VAL . 2.6 p -138.88 114.58 9.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.152 0.501 . . . . 0.0 110.364 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -116.88 101.41 8.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.34 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 45' ' ' VAL . 3.9 p -85.5 117.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.347 0.594 . . . . 0.0 110.408 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.2 101.1 13.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.4 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 40' ' ' LEU . 1.4 tm? -63.26 -41.35 99.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.979 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.01 -52.14 66.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.556 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.8 -34.84 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.38 . . . . 0.0 111.377 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.37 35.81 11.61 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.127 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 10' ' ' GLN . 21.7 p -139.91 160.27 40.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 HG23 ' A' ' 38' ' ' VAL . 33.6 t -128.44 120.43 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.745 0.307 . . . . 0.0 110.29 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.71 112.39 24.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.577 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.71 128.26 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.337 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -96.02 111.7 23.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.5 pt -114.85 152.69 16.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.04 95.66 10.41 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.0 t -74.74 -3.27 30.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.228 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.7 m -84.68 -13.69 50.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.173 0.511 . . . . 0.0 109.906 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -117.99 -62.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.136 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.5 p -101.96 148.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.99 158.1 15.73 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.84 -29.22 69.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -59.09 -40.62 85.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.54 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 62' ' ' VAL . 51.1 m-20 -56.03 -49.67 73.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.127 0.489 . . . . 0.0 110.032 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.768 HD12 HG13 ' A' ' 27' ' ' VAL . 36.8 mm -58.22 -52.07 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.284 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.07 -47.4 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.117 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.0 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.69 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.595 HG12 ' HB3' ' A' ' 26' ' ' SER . 47.4 t -65.93 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.881 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.8 -47.26 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.973 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.21 -26.57 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.592 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.63 -26.11 68.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.973 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -73.43 -9.96 59.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.25 27.82 6.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -116.15 160.16 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -114.19 117.62 31.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 11' ' ' VAL . 87.1 t . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.402 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 89.6 mmm -87.41 101.96 14.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.664 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.53 113.87 25.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.235 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -101.5 115.54 30.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.83 146.59 49.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 111.136 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -110.79 104.53 13.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.104 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.33 141.38 28.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.5 pt20 -83.24 146.55 28.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 172.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.35 111.73 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.55 0.69 . . . . 0.0 111.431 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.807 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 5.7 mm-40 -87.19 111.93 21.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.638 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.37 -110.77 0.46 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.837 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.424 ' HE1' ' HA2' ' A' ' 43' ' ' GLY . 58.5 mtt 62.54 -170.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.289 0.636 . . . . 0.0 112.077 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 p -158.66 -73.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.774 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.2 t -153.83 -56.41 0.11 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.913 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -141.14 -33.69 0.12 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.318 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -63.42 -49.35 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.062 0.431 . . . . 0.0 110.949 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 23' ' ' ILE . 96.8 m -63.6 -24.49 67.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.691 0.281 . . . . 0.0 111.23 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 76.7 t -61.71 -58.04 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.52 -23.62 60.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.723 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -57.31 12.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.471 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.4 tt -67.96 -34.58 67.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.647 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 40.2 tt0 -53.27 -52.62 58.45 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.299 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 p -73.46 -30.71 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.904 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 30' ' ' LEU . 71.3 m -53.35 -40.83 65.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.501 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.617 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 5.7 p -83.88 -43.96 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.031 0.443 . . . . 0.0 111.163 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 7.6 tmtm? -57.46 -39.96 77.45 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.276 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.88 -23.79 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 3.9 mm? -62.42 129.53 41.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.358 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.533 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 51.3 t30 -71.46 111.43 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.602 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.94 18.03 4.83 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.045 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.72 122.55 59.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.113 0.483 . . . . 0.0 110.569 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.8 -66.61 0.82 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.729 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -138.04 152.56 48.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.665 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.18 122.04 55.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.271 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 9.1 mtpm? -114.68 94.23 4.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.25 124.36 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.251 0.548 . . . . 0.0 110.013 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -106.01 95.79 6.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.355 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 20' ' ' VAL . 3.0 tm? -63.33 -35.79 81.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.706 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.78 55.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.56 -21.42 14.73 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' HA2' ' HE1' ' A' ' 14' ' ' MET . . . 73.74 30.36 61.89 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.728 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' GLN . 22.8 p -134.64 165.8 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -134.92 124.81 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.226 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 43.9 mt-10 -98.4 115.83 29.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.864 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -126.91 128.89 71.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.825 0.345 . . . . 0.0 111.429 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.5 m -101.96 118.19 36.39 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 4' ' ' MET . 18.6 pt -115.65 160.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.518 . . . . 0.0 112.034 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -93.56 103.71 15.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 168.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 t -77.78 -0.03 25.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.019 0.438 . . . . 0.0 111.374 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.5 m -91.25 -13.1 33.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.085 0.469 . . . . 0.0 110.066 175.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.42 -58.65 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.276 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.533 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 9.7 p -105.08 156.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.2 p -108.06 160.99 15.36 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.1 tp -69.1 -36.14 77.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.893 0.377 . . . . 0.0 110.288 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -42.62 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 62' ' ' VAL . 19.2 m-20 -58.09 -41.64 83.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.052 0.453 . . . . 0.0 110.273 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.69 -51.49 61.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.777 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 71.6 t -55.93 -43.21 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.572 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.66 -54.76 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.078 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 HD21 ' A' ' 30' ' ' LEU . 93.3 t -60.01 -44.02 93.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.585 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG21 HG11 ' A' ' 70' ' ' VAL . 72.7 mt -64.22 -50.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.6 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 38.7 mt-10 -66.41 -30.77 71.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.457 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.51 -21.96 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.767 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.2 mm-40 -84.73 2.94 39.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.797 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.32 44.29 4.39 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -129.81 154.63 47.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.807 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 35.4 t70 -113.84 100.39 8.4 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 17.9 m . . . . . 0 C--N 1.323 -0.575 0 CA-C-O 120.896 0.379 . . . . 0.0 111.706 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.56 ' N ' ' HG ' ' A' ' 52' ' ' SER . . . . . . . . 0 C--O 1.235 0.296 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.5 mmm -82.54 122.55 28.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -119.97 144.87 47.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -114.78 116.82 29.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.2 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.781 ' HG ' HD12 ' A' ' 56' ' ' LEU . 3.0 mm? -121.5 162.03 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -118.86 113.92 21.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.075 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 9' ' ' LEU . 6.8 mp -100.64 133.91 44.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.136 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.601 ' HA ' HG22 ' A' ' 44' ' ' THR . 1.6 pt20 -90.81 127.54 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 110.221 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.526 ' HA ' HG22 ' A' ' 70' ' ' VAL . 10.8 t -113.3 106.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 43.4 mt-10 -94.73 123.86 38.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.282 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.03 40.96 2.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.023 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.504 ' SD ' ' HA2' ' A' ' 43' ' ' GLY . 50.9 mtt -77.96 124.74 28.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.899 0.35 . . . . 0.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -76.73 -2.06 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.624 ' HA ' HD21 ' A' ' 40' ' ' LEU . 42.1 t 72.33 164.78 0.29 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.363 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.62 -105.7 0.89 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.754 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.88 -12.94 60.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 110.916 -175.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 23' ' ' ILE . 46.4 t -54.0 -35.17 61.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.498 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 HG13 ' A' ' 38' ' ' VAL . 69.9 t -57.45 -63.44 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.264 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.44 -37.41 75.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.113 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -60.06 4.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.212 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -67.87 -34.45 67.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 45.1 tt0 -55.27 -46.34 76.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.144 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 26.2 m -72.53 -34.74 67.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.292 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 m -54.38 -32.45 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.652 HG13 HD12 ' A' ' 59' ' ' ILE . 13.7 t -83.38 -55.28 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.614 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 20.4 ttmm -57.37 -38.38 74.13 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.89 -19.1 64.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.141 0.496 . . . . 0.0 111.086 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 62' ' ' VAL . 36.4 mt -78.08 148.18 34.35 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.248 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 29.6 t30 -78.41 128.69 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.296 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.29 13.78 27.77 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.417 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 27' ' ' VAL . 86.4 t -104.55 136.52 37.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 O-C-N 122.637 -0.331 . . . . 0.0 110.538 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.725 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.8 tp10 -101.59 -69.14 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.514 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.725 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 21.3 mt-30 -143.45 149.17 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.189 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.686 HG12 HG13 ' A' ' 47' ' ' VAL . 27.0 m -130.1 137.81 55.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.25 0.548 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 44.6 mtpt -117.34 91.45 3.58 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG23 HG22 ' A' ' 45' ' ' VAL . 2.7 p -88.12 115.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 0.0 110.56 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -96.82 103.65 15.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.654 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 16' ' ' CYS . 2.2 tm? -63.26 -48.02 79.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.002 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.24 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.672 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -82.76 -34.75 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.721 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.504 ' HA2' ' SD ' ' A' ' 14' ' ' MET . . . 82.34 31.18 31.64 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.387 -176.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 10' ' ' GLN . 22.9 p -139.57 154.75 47.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.683 0.278 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 38' ' ' VAL . 22.9 t -127.26 121.28 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.893 0.378 . . . . 0.0 110.764 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.718 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 41.1 mt-10 -88.26 110.87 21.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.371 174.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.686 HG13 HG12 ' A' ' 36' ' ' VAL . 22.6 t -116.33 136.73 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.062 0.458 . . . . 0.0 112.016 -173.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 m -103.39 114.59 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.446 HG23 HG12 ' A' ' 47' ' ' VAL . 43.0 pt -121.75 156.31 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.06 97.99 7.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.399 167.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.8 p -68.33 -9.93 51.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.224 0.535 . . . . 0.0 111.044 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.56 ' HG ' ' N ' ' A' ' 3' ' ' ALA . 7.2 m -87.61 -5.77 58.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.577 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -125.39 -64.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.1 p -106.25 138.55 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 p -94.28 165.39 12.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.735 -0.386 . . . . 0.0 109.991 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.781 HD12 ' HG ' ' A' ' 7' ' ' LEU . 10.1 tt -61.68 -40.49 95.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.401 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.588 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.2 tmtm? -66.97 -31.26 71.71 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.696 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.89 -51.93 65.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.238 0.542 . . . . 0.0 109.822 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.652 HD12 HG13 ' A' ' 27' ' ' VAL . 38.2 mm -54.81 -51.63 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.109 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG13 ' HB ' ' A' ' 70' ' ' VAL . 89.7 t -58.66 -45.47 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.457 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.53 -43.52 84.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.517 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.615 HG21 HD21 ' A' ' 30' ' ' LEU . 61.8 t -70.53 -36.47 66.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.514 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 68' ' ' TYR . 72.8 mt -66.55 -39.82 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 45.7 mt-10 -71.77 -39.06 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.874 0.369 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.06 -19.96 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.493 0.663 . . . . 0.0 109.993 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.26 -1.85 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.734 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.39 16.05 25.92 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.621 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 83.1 m-85 -108.46 157.4 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 0.0 111.214 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.662 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 13.2 m-20 -110.19 106.7 16.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 176.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.67 ' HB ' HG13 ' A' ' 60' ' ' VAL . 97.6 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.396 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.445 ' HE3' ' HG3' ' A' ' 34' ' ' GLU . 12.2 ptm -103.79 118.82 37.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.494 0.664 . . . . 0.0 111.477 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 150.11 22.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.991 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.08 120.35 40.08 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -126.85 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.531 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' HG2' ' A' ' 46' ' ' GLU . 28.9 m -116.22 104.68 11.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.842 177.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.11 135.07 34.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.671 0.272 . . . . 0.0 111.191 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 68.1 mm-40 -88.69 113.59 24.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.661 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.624 HG21 HG23 ' A' ' 45' ' ' VAL . 15.4 t -111.56 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.53 128.98 48.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.136 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 29.85 1.38 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.508 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 mmt -65.7 126.51 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.691 0.281 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.624 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t -93.29 -77.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.431 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -142.88 -173.97 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.707 0.289 . . . . 0.0 111.127 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.25 -38.03 91.44 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 113.466 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.384 -0.48 . . . . 0.0 110.145 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 63.8 m -65.06 -26.88 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.431 178.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG22 HD23 ' A' ' 40' ' ' LEU . 59.3 t -62.73 -48.05 89.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.275 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -65.07 -42.09 94.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.928 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.32 -55.65 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.654 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 19' ' ' CYS . 9.8 tt -63.48 -37.58 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 120.633 0.254 . . . . 0.0 110.7 -177.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.47 -57.23 11.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 p -72.42 -30.05 64.28 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.786 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.75 HG13 HD12 ' A' ' 59' ' ' ILE . 61.4 t -82.46 -45.05 19.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -42.56 98.11 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.929 -175.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.74 -21.79 66.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.638 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 59' ' ' ILE . 18.2 mt -67.21 143.34 56.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.896 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.25 131.48 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.232 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.54 -11.65 54.02 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.869 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG22 HG22 ' A' ' 49' ' ' ILE . 66.1 t -85.48 121.79 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' HG3' ' HE3' ' A' ' 4' ' ' MET . 60.1 mm-40 -86.79 -68.96 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.612 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -132.9 138.68 47.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.844 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 47' ' ' VAL . 2.9 p -133.34 126.57 52.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -125.46 109.45 12.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.484 0.659 . . . . 0.0 110.297 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.557 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -85.84 125.91 40.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.063 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -104.87 93.37 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.761 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD23 HG22 ' A' ' 20' ' ' VAL . 3.1 tm? -62.82 -36.82 84.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.109 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.25 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.347 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -105.74 -31.52 8.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.92 35.9 6.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.135 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 10' ' ' GLN . 5.0 p -135.48 159.93 40.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.143 0.497 . . . . 0.0 111.677 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.624 HG23 HG21 ' A' ' 11' ' ' VAL . 59.5 t -134.44 114.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.67 175.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 8' ' ' THR . 30.6 mt-10 -96.29 123.19 39.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.923 0.392 . . . . 0.0 109.95 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.672 HG22 HG23 ' A' ' 36' ' ' VAL . 8.8 t -130.13 143.36 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.996 -174.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -102.18 107.3 18.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.435 HG22 HG22 ' A' ' 33' ' ' VAL . 31.1 pt -115.44 147.24 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 0.0 111.002 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -83.9 102.75 12.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 p -73.66 -4.29 33.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.486 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -85.28 -6.26 59.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.281 0.562 . . . . 0.0 109.497 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -127.15 -66.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.524 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -98.13 137.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.9 p -99.65 -175.96 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.231 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 mp -71.29 -44.29 65.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -52.47 -38.29 59.05 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.928 0.768 . . . . 0.0 111.56 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.93 -52.44 65.2 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.198 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.768 HD13 HD12 ' A' ' 30' ' ' LEU . 25.4 mm -65.27 -48.45 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.218 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 56' ' ' LEU . 49.7 t -56.97 -54.71 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.085 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.99 95.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.809 -176.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.596 HG11 HD11 ' A' ' 30' ' ' LEU . 8.5 p -64.94 -31.85 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.578 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.534 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 67.4 mt -70.82 -55.86 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.087 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 50.4 mt-10 -59.26 -34.33 72.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.957 -173.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.34 -25.79 67.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.713 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.534 ' NE2' ' HA ' ' A' ' 63' ' ' ILE . 42.7 mt-30 -74.66 -9.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.761 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.55 35.93 1.66 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.97 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.503 ' OH ' ' HB3' ' A' ' 19' ' ' CYS . 76.3 m-85 -125.65 171.91 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.023 0.44 . . . . 0.0 110.618 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.35 121.43 21.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.487 174.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 25.3 t . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.799 0.333 . . . . 0.0 110.236 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 85.9 mmm -76.83 119.39 20.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.676 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' THR . 61.9 mm-40 -105.1 111.17 23.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.657 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.79 104.01 16.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.8 mt -119.47 135.11 54.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.82 0.343 . . . . 0.0 111.328 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.0 m -105.01 104.94 14.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.038 173.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.4 mp -93.42 127.19 38.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.554 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.2 pt20 -82.47 127.42 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.0 105.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.362 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -92.0 112.94 25.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.653 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 33.81 0.98 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.821 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 mmt -65.66 138.51 58.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.584 0.231 . . . . 0.0 110.57 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 48.2 t -88.47 -86.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.425 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -149.52 -74.38 0.17 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.809 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.28 -47.66 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.425 -0.893 . . . . 0.0 113.349 -177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -68.3 -15.76 63.69 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.104 0.478 . . . . 0.0 110.571 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.597 ' O ' HG22 ' A' ' 23' ' ' ILE . 7.2 p -62.55 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.461 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' A' ' 38' ' ' VAL . 75.1 t -63.84 -54.8 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.21 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -50.41 -49.36 54.87 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.799 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -63.23 1.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.587 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.667 HG23 HG21 ' A' ' 38' ' ' VAL . 9.8 tt -64.12 -37.59 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -174.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -54.68 -55.77 26.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.456 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 p -72.39 -30.34 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.485 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -53.51 -36.52 61.82 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.94 -47.02 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.131 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -63.55 -31.77 73.04 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.05 -25.34 65.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.034 0.445 . . . . 0.0 110.757 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.14 141.37 58.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.179 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.532 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 33.7 t30 -77.47 121.26 23.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.812 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.88 8.9 21.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.583 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.536 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -104.38 114.22 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-O 121.737 0.78 . . . . 0.0 110.033 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 48' ' ' THR . 8.3 tp10 -76.41 -48.9 18.2 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.424 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.488 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 3.9 pt20 -156.85 161.93 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 47' ' ' VAL . 3.5 p -159.6 116.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 37' ' ' LYS . 3.2 mppt? -118.85 116.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.428 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' A' ' 20' ' ' VAL . 40.2 t -93.97 114.62 30.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.108 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.465 HE21 ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -95.61 110.82 22.87 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.352 178.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.53 -39.9 80.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.359 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.991 0.425 . . . . 0.0 110.793 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -79.41 -34.29 41.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.058 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.61 21.42 66.58 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 10' ' ' GLN . 46.9 p -132.0 161.33 33.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.447 -0.377 . . . . 0.0 110.454 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.624 HG22 HG13 ' A' ' 38' ' ' VAL . 42.4 t -126.1 122.98 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -92.63 110.25 21.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 36' ' ' VAL . 25.3 t -117.04 138.15 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.773 -176.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.488 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 18.0 m -119.92 108.81 14.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.536 HG22 HG22 ' A' ' 33' ' ' VAL . 38.0 pt -115.95 170.86 5.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -103.14 106.29 16.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 52.0 p -72.3 -7.46 49.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.017 0.437 . . . . 0.0 111.079 -175.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -89.58 2.13 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.411 0.624 . . . . 0.0 109.802 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -126.95 -61.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.99 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 51' ' ' SER . 13.7 p -112.75 136.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -81.69 156.69 24.92 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.497 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -68.75 -31.87 71.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.849 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 4.2 tmtt? -68.4 -34.27 75.72 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 62' ' ' VAL . 2.9 m-20 -60.23 -43.89 95.66 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 49' ' ' ILE . 46.3 mm -56.65 -53.78 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 43.1 t -61.31 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.169 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -47.94 80.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.428 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 94.2 t -59.78 -46.23 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.9 -48.2 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.955 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 46.0 mt-10 -63.44 -42.51 98.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.17 -26.95 69.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.1 mm100 -76.67 3.81 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.631 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.84 27.69 6.22 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.647 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 89.9 m-85 -124.08 164.45 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.664 -0.315 . . . . 0.0 110.231 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -129.74 115.31 17.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 121.049 0.452 . . . . 0.0 111.121 -174.283 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 29.0 mmt -83.04 94.41 7.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 111.188 -177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 118.08 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.375 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.24 106.08 18.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 56' ' ' LEU . 10.8 mp -93.26 152.55 19.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.044 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.438 HG23 ' HG2' ' A' ' 46' ' ' GLU . 3.4 m -134.87 103.87 5.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.414 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.503 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 1.1 pp -114.75 145.1 42.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.603 0.24 . . . . 0.0 111.414 -176.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HA ' HG22 ' A' ' 44' ' ' THR . 49.2 mt-30 -82.96 146.47 28.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 70' ' ' VAL . 20.2 t -116.01 106.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -175.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 69' ' ' ASP . 12.2 tp10 -96.95 110.19 22.77 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.26 32.29 0.27 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.983 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.9 mmt -81.99 95.61 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 p -91.69 -31.29 15.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.765 0.317 . . . . 0.0 111.428 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 18' ' ' HIS . 14.2 p -161.53 179.2 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.7 -18.79 74.33 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.283 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 62.6 m170 -62.67 -27.71 69.42 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.556 0.217 . . . . 0.0 110.583 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' ILE . 65.7 m -56.95 -35.49 69.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.429 HG13 ' CG1' ' A' ' 38' ' ' VAL . 74.7 t -48.76 -61.3 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.344 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.79 -37.18 84.07 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.93 -58.21 9.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.815 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' CYS . 19.1 tt -69.96 -34.33 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.037 -177.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.508 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 5.4 tm-20 -56.71 -49.8 74.09 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 12.0 p -72.6 -30.77 64.64 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.679 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.566 ' O ' HD23 ' A' ' 30' ' ' LEU . 62.3 m -56.25 -35.63 67.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 17.6 t -84.2 -44.83 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 173.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 4.4 tppp? -63.37 -36.25 83.08 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -173.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.37 -19.91 65.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.182 0.515 . . . . 0.0 110.81 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.658 HD21 HG21 ' A' ' 62' ' ' VAL . 3.7 mm? -69.52 123.34 21.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.127 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.487 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 32.2 t30 -65.43 114.64 4.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.212 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.1 -9.29 8.45 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.17 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 49' ' ' ILE . 78.0 t -86.81 133.59 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -89.89 -67.4 0.85 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.016 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -133.79 145.93 50.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 47' ' ' VAL . 20.1 t -127.06 100.29 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.663 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -98.38 94.05 6.53 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.058 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.429 ' CG1' HG13 ' A' ' 20' ' ' VAL . 3.3 p -80.95 119.94 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.393 0.616 . . . . 0.0 110.391 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CB ' ' HB2' ' A' ' 42' ' ' GLU . 16.2 mm-40 -94.69 96.64 9.53 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.637 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.89 -48.83 80.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.951 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -33.78 61.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.838 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 27.7 mm-40 -81.81 -21.31 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.681 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.18 23.58 68.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.126 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 10' ' ' GLN . 11.0 p -137.52 168.69 19.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.59 HG12 HG23 ' A' ' 47' ' ' VAL . 95.0 t -133.78 127.81 52.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.085 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' HG2' HG23 ' A' ' 8' ' ' THR . 39.5 mt-10 -108.18 114.99 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.904 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 45' ' ' VAL . 48.7 t -127.7 132.52 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.755 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.4 m -95.21 112.66 24.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.441 HG22 HG22 ' A' ' 33' ' ' VAL . 30.5 pt -115.62 157.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.901 0.382 . . . . 0.0 110.923 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 45.2 t0 -93.66 96.56 9.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 t -73.64 -4.96 37.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 -174.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -83.56 -8.31 59.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.69 -69.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.224 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 14.0 p -95.16 144.42 9.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -101.06 161.18 13.78 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.104 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.505 ' HB3' HD21 ' A' ' 7' ' ' LEU . 3.6 pp -61.66 -30.78 70.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.0 tmtt? -67.39 -42.88 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.239 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -53.14 -51.96 60.28 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.636 0.731 . . . . 0.0 109.653 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.437 ' O ' HG13 ' A' ' 63' ' ' ILE . 72.8 mt -63.14 -52.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.371 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.31 -40.37 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.819 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.23 80.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 30' ' ' LEU . 95.1 t -67.23 -44.15 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.414 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.588 HD11 HG22 ' A' ' 27' ' ' VAL . 82.7 mt -60.01 -48.79 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.026 0.441 . . . . 0.0 111.414 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.62 -24.74 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.877 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.38 -20.1 64.67 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.161 0.505 . . . . 0.0 110.472 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -79.09 -21.21 47.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.897 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 35.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -127.17 156.05 42.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 11.9 m-20 -115.23 102.49 9.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 11' ' ' VAL . 34.7 m . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.64 -171.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.743 0.306 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.64 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 51.8 mtt -87.83 121.71 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.147 0.499 . . . . 0.0 111.634 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -106.0 127.16 52.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.902 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -101.08 100.03 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.32 140.88 45.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -105.31 111.02 23.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.52 126.34 45.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.446 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.5 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -82.37 123.65 29.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.113 0.483 . . . . 0.0 109.993 176.1 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 p -122.82 131.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.771 -172.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.2 147.04 45.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.259 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.7 -14.99 9.78 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.514 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.539 ' HB2' ' CB ' ' A' ' 19' ' ' CYS . 25.0 ptt? -106.82 142.53 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 m -143.28 3.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -141.51 169.8 16.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 111.581 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.72 -25.76 73.96 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -56.84 -43.56 81.24 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.539 ' CB ' ' HB2' ' A' ' 14' ' ' MET . 61.0 m -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.381 176.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 HG13 ' A' ' 38' ' ' VAL . 96.5 t -48.47 -53.3 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.533 0.521 . . . . 0.0 111.015 177.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.68 -50.44 73.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -58.67 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.843 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.0 tt -64.26 -34.97 72.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.972 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.41 -52.64 63.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.313 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 50.2 m -72.53 -34.47 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.503 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -52.93 -40.17 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.534 HG11 HG21 ' A' ' 47' ' ' VAL . 32.2 t -82.86 -41.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.227 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -71.6 -33.21 68.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.2 mt-10 -62.91 -31.04 72.02 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.196 0.522 . . . . 0.0 110.331 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 62' ' ' VAL . 42.8 mt -55.51 138.01 47.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.651 -176.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.22 120.71 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.504 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.6 -1.55 24.79 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 49' ' ' ILE . 78.0 t -101.46 125.21 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.482 0.658 . . . . 0.0 110.15 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.74 -64.25 1.18 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.737 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 11.0 pt20 -138.83 144.89 39.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.916 0.389 . . . . 0.0 111.098 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.748 HG22 HG13 ' A' ' 47' ' ' VAL . 65.0 t -133.84 119.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.991 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -125.89 96.15 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.834 0.826 . . . . 0.0 110.074 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.795 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -84.3 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.246 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.3 112.78 22.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.92 0.39 . . . . 0.0 110.663 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.9 tm? -71.54 -34.74 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.625 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.98 87.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.663 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.32 -25.23 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.72 0.295 . . . . 0.0 111.66 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.0 40.35 30.39 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.104 -1.046 . . . . 0.0 110.941 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' GLN . 14.3 p -134.58 146.86 50.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 0.0 110.883 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.795 HG22 HG23 ' A' ' 38' ' ' VAL . 21.3 t -119.41 110.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.726 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -97.11 115.27 27.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.748 HG13 HG22 ' A' ' 36' ' ' VAL . 39.1 t -120.21 143.24 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.021 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.43 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 33.6 m -112.07 107.29 16.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.908 174.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.648 HG22 HG22 ' A' ' 33' ' ' VAL . 34.2 pt -115.84 163.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.036 -176.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -95.86 109.51 21.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 170.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.7 p -74.9 -0.48 18.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.66 -173.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -89.92 -11.37 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 109.98 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.62 -68.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.609 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -100.13 144.13 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.0 p -109.09 173.73 6.19 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.108 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 56' ' ' LEU . 7.0 mp -66.55 -36.17 82.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.644 -176.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -58.3 -42.42 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.195 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.49 -42.08 95.58 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.006 0.432 . . . . 0.0 110.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.471 HD12 HG13 ' A' ' 27' ' ' VAL . 48.1 mm -66.87 -46.48 85.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.35 -47.57 92.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.26 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.388 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 30' ' ' LEU . 15.0 p -65.28 -42.58 94.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.586 0.232 . . . . 0.0 111.323 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.97 -49.77 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.375 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 70' ' ' VAL . 22.5 mt-10 -72.89 -25.83 61.22 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.842 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.87 -32.02 73.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.1 mm100 -71.05 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.36 9.41 21.78 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.907 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 61.3 m-85 -96.07 156.35 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.01 0.405 . . . . 0.0 111.371 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.64 112.28 24.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.849 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 11' ' ' VAL . 14.2 m . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.576 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.3 ptp -97.84 143.92 27.96 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.138 0.495 . . . . 0.0 111.669 -173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.99 125.1 50.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.389 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 48' ' ' THR . 75.0 mt-30 -105.62 100.4 9.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.07 142.33 49.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 44' ' ' THR . 29.1 m -105.8 104.7 14.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.682 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.78 140.05 39.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.61 -175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 42.9 mt-30 -83.68 127.52 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.745 HG21 HG23 ' A' ' 45' ' ' VAL . 38.8 t -119.28 114.55 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.894 0.378 . . . . 0.0 111.672 -173.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 54.9 mt-10 -111.41 134.88 52.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.29 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.58 20.28 3.93 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.274 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 64.3 mtt -77.2 157.95 30.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.631 0.253 . . . . 0.0 110.446 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 t -124.86 -73.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.389 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.02 -163.35 1.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.99 -29.94 69.01 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.628 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -62.87 -40.0 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.582 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 21.4 p -66.76 -23.42 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.411 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.91 -55.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.16 -28.69 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.488 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.07 61.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.6 tt -69.24 -33.82 59.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.45 -52.4 59.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 6.3 p -72.47 -32.48 66.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.463 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 30' ' ' LEU . 66.6 m -55.44 -34.99 64.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.76 0.314 . . . . 0.0 110.38 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 27.3 t -83.64 -43.01 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -65.02 -40.11 94.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.314 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.8 -24.87 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.522 . . . . 0.0 110.663 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 2.2 mm? -64.39 130.01 42.13 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.067 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -71.58 132.0 44.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.04 -2.21 44.35 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.964 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.442 HG11 HG12 ' A' ' 27' ' ' VAL . 80.5 t -95.47 124.71 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 121.294 0.569 . . . . 0.0 110.671 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.584 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 6.8 tp10 -91.16 -63.39 1.27 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.462 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.584 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 86.1 mt-30 -122.35 142.23 50.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.77 0.319 . . . . 0.0 111.463 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -133.77 103.41 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.709 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 37.1 ttpt -110.19 96.12 6.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.424 HG13 HG22 ' A' ' 45' ' ' VAL . 59.8 t -77.06 117.16 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.997 0.427 . . . . 0.0 110.01 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.18 95.15 6.62 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 40' ' ' LEU . 3.1 tm? -69.02 -32.54 72.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.882 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.99 -15.32 63.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.831 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -118.3 -30.53 5.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.745 0.307 . . . . 0.0 111.159 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.97 39.58 8.52 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.517 ' HB ' HG22 ' A' ' 8' ' ' THR . 69.5 p -138.61 166.14 25.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.745 HG23 HG21 ' A' ' 11' ' ' VAL . 72.3 t -134.28 116.79 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.222 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 37' ' ' LYS . 33.3 tt0 -86.28 112.78 21.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.628 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG12 HG23 ' A' ' 49' ' ' ILE . 42.1 t -120.71 130.22 74.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 111.364 -176.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 6' ' ' GLN . 33.0 m -109.33 120.98 44.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.536 HG23 HG12 ' A' ' 47' ' ' VAL . 42.8 pt -124.91 163.0 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.84 100.16 12.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 166.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -77.43 9.57 3.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.972 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -98.19 -3.81 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.21 -64.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.06 148.94 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.934 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -99.62 159.88 14.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.16 -34.91 79.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 3.2 tmtp? -61.19 -40.27 93.28 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.815 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -53.52 -51.69 62.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.472 0.653 . . . . 0.0 110.353 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 63' ' ' ILE . 68.2 mt -65.79 -43.98 93.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.922 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.477 HG13 HG23 ' A' ' 70' ' ' VAL . 79.6 t -55.72 -47.29 79.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -47.17 78.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 30' ' ' LEU . 86.6 t -65.12 -44.17 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.4 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.699 HG21 HG11 ' A' ' 70' ' ' VAL . 70.6 mt -62.77 -47.47 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.734 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 70' ' ' VAL . 41.7 mt-10 -64.41 -30.88 71.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.717 0.294 . . . . 0.0 110.59 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.13 -18.22 64.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.5 -2.5 53.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.36 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.32 44.27 3.03 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.832 177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.582 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 66.0 m-85 -132.18 149.66 52.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.08 0.467 . . . . 0.0 111.362 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 20.0 m-20 -100.3 101.78 12.87 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.699 HG11 HG21 ' A' ' 63' ' ' ILE . 31.4 m . . . . . 0 C--N 1.321 -0.663 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.935 -176.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.22 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.4 ptp -90.71 144.0 26.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.562 0.696 . . . . 0.0 112.399 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -123.98 136.67 54.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.618 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.439 ' HG2' HG23 ' A' ' 48' ' ' THR . 33.4 mt-30 -108.17 117.3 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.886 0.374 . . . . 0.0 110.103 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 tp -133.73 142.52 48.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.829 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -100.1 107.49 19.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.783 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.54 142.17 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.829 HE22 ' HG2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -96.4 144.8 26.21 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -122.63 108.68 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -172.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.829 ' HG2' HE22 ' A' ' 10' ' ' GLN . 12.3 mm-40 -96.67 115.22 27.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 111.148 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.09 39.45 1.05 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.939 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 14.4 mmt -56.48 116.47 3.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.274 0.559 . . . . 0.0 111.411 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 19' ' ' CYS . 4.9 m -90.73 67.43 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.923 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m 55.63 -117.49 1.14 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.988 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.26 -2.25 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -73.24 -47.17 45.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.397 0.618 . . . . 0.0 110.18 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.555 ' O ' HG22 ' A' ' 23' ' ' ILE . 6.9 p -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.748 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.4 t -51.49 -63.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.229 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -72.17 -33.82 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.779 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.35 65.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.66 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.3 tt -77.12 -34.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -56.64 -45.18 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.5 m -73.1 -42.14 63.3 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' HD23 ' A' ' 30' ' ' LEU . 32.8 p -59.48 -29.25 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.525 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.554 HG12 HG11 ' A' ' 33' ' ' VAL . 60.7 t -82.34 -49.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.67 172.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.769 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.51 -40.13 96.24 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.32 -26.95 67.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.74 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -61.85 129.86 42.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.348 178.357 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.551 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 43.4 t30 -65.83 129.58 40.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.966 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.06 43.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.409 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.587 HG22 HG22 ' A' ' 49' ' ' ILE . 70.9 t -81.24 118.72 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.347 0.594 . . . . 0.0 110.779 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.73 -51.16 8.98 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.483 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 28.1 pt20 -150.24 153.46 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.661 0.267 . . . . 0.0 110.649 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.444 HG11 ' HB2' ' A' ' 28' ' ' LYS . 5.0 p -146.15 128.18 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.657 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -128.86 108.18 10.23 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 45' ' ' VAL . 7.4 p -84.4 131.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.303 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -108.79 116.12 31.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -80.75 -38.6 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.07 61.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.146 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.02 -29.01 55.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.816 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.06 33.98 22.28 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.759 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 10' ' ' GLN . 16.9 p -132.95 162.9 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.549 0.214 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 38' ' ' VAL . 44.1 t -132.27 124.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.33 114.11 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG12 HG23 ' A' ' 49' ' ' ILE . 44.4 t -124.21 140.93 46.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.139 0.495 . . . . 0.0 111.406 -175.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 31.4 m -122.14 121.0 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 171.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.1 pt -126.73 156.79 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 111.871 -175.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.54 103.19 14.83 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.4 p -73.18 -4.72 34.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.282 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -90.12 1.98 55.79 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.0 t -127.4 -64.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.422 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 12.4 p -110.05 152.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.09 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -102.63 164.59 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.6 mm? -68.01 -39.38 83.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -36.89 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.357 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 62' ' ' VAL . 10.6 m-20 -60.46 -42.37 96.07 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.556 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 49' ' ' ILE . 68.4 mt -66.96 -47.15 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.307 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 91.6 t -55.73 -45.01 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -45.7 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.127 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -63.95 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.953 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 59' ' ' ILE . 80.3 mt -62.34 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.391 . . . . 0.0 110.735 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.9 mt-10 -65.95 -30.4 70.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.87 -21.94 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.274 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.625 ' HB2' ' HD2' ' A' ' 68' ' ' TYR . 35.7 mt-30 -81.59 -6.75 59.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.36 30.52 6.55 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.322 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.625 ' HD2' ' HB2' ' A' ' 66' ' ' GLN . 97.3 m-85 -118.13 154.61 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 27.6 t70 -111.03 117.67 33.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.76 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 -176.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.866 0.365 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.9 mmt -86.21 104.86 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.409 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 9.9 mm-40 -101.54 107.24 18.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.951 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.04 0.448 . . . . 0.0 110.112 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -123.87 140.18 53.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.494 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -99.93 104.51 16.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.869 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.811 ' HB2' HG23 ' A' ' 45' ' ' VAL . 4.6 mp -91.32 168.08 11.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -117.76 145.67 44.32 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 45' ' ' VAL . 10.9 t -106.06 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.653 -175.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -97.54 108.47 21.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.24 -98.96 0.27 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 mtt 61.15 -176.05 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.507 0.67 . . . . 0.0 112.536 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 t -151.01 -73.84 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.685 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.3 t -152.66 -74.36 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.553 0.216 . . . . 0.0 111.269 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.15 -45.47 0.21 Allowed Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.19 -176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -54.49 -36.47 64.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.004 0.43 . . . . 0.0 111.167 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.5 p -60.68 -28.55 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.252 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 HG13 ' A' ' 38' ' ' VAL . 93.1 t -63.13 -53.21 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.95 -37.97 87.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.233 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -56.3 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.585 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG21 HG21 ' A' ' 38' ' ' VAL . 6.9 tp -65.78 -35.29 74.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 110.737 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.78 -55.69 24.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 16.4 p -71.1 -29.88 65.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.963 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 63' ' ' ILE . 41.5 t -53.56 -38.13 63.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG11 HG11 ' A' ' 47' ' ' VAL . 22.9 t -85.28 -47.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 172.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.628 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.2 tptt -61.94 -30.7 71.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.12 -19.82 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.23 0.538 . . . . 0.0 110.912 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.633 ' HG ' HG12 ' A' ' 59' ' ' ILE . 4.4 mm? -69.27 127.45 33.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.976 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.569 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 64.2 t30 -68.48 112.83 5.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.617 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.34 -9.95 7.76 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.147 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.521 HG22 HG22 ' A' ' 49' ' ' ILE . 81.1 t -87.72 127.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.24 0.543 . . . . 0.0 111.487 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.44 -66.24 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.763 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.93 152.3 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.481 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 47' ' ' VAL . 45.8 t -133.43 118.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.947 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -118.88 99.2 6.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.752 0.31 . . . . 0.0 110.299 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 23' ' ' ILE . 3.5 p -84.36 119.33 33.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.577 0.703 . . . . 0.0 110.006 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.567 ' HB3' ' HB2' ' A' ' 42' ' ' GLU . 1.7 mm-40 -88.61 108.15 19.29 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.491 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.1 tm? -76.07 -28.83 57.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.118 0.485 . . . . 0.0 109.88 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.27 -35.33 55.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.927 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . 43.0 mt-10 -89.57 -32.98 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.444 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.62 33.26 13.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.567 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -133.69 177.98 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.885 0.374 . . . . 0.0 111.564 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.811 HG23 ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -139.53 107.62 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.917 -178.677 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -90.86 108.56 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.623 HG11 HG11 ' A' ' 27' ' ' VAL . 45.1 t -124.62 140.53 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -173.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -109.42 115.57 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.521 HG22 HG22 ' A' ' 33' ' ' VAL . 27.7 pt -115.49 161.56 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 111.178 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 60.3 t0 -101.27 103.82 14.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 29.2 t -78.44 2.4 18.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.9 m -89.84 -1.69 58.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 0.0 109.772 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.49 -58.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.569 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 13.5 p -114.87 146.17 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 p -107.38 164.85 11.84 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 60' ' ' VAL . 55.2 tp -61.37 -40.21 93.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.335 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -62.24 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.229 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.56 -51.99 66.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.871 0.844 . . . . 0.0 109.448 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.633 HG12 ' HG ' ' A' ' 30' ' ' LEU . 60.1 mt -62.86 -48.4 88.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.56 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.528 HG13 HG23 ' A' ' 70' ' ' VAL . 72.1 t -55.76 -44.56 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.887 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.91 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 61.9 t -73.02 -41.42 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 27' ' ' VAL . 71.0 mt -60.9 -49.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.613 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.633 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.1 mt-10 -66.43 -26.51 67.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.534 -177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.59 -24.69 66.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.332 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 79.3 mm-40 -84.19 -4.41 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.782 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.21 41.91 3.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.913 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 52.7 m-85 -136.7 139.96 42.33 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -100.61 94.4 6.09 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.528 HG23 HG13 ' A' ' 60' ' ' VAL . 35.9 m . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.915 -172.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.868 0.366 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 81.9 mtp -83.41 134.74 34.87 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -130.4 147.6 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.312 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.857 ' HA ' HE21 ' A' ' 6' ' ' GLN . 0.0 OUTLIER -99.97 115.59 30.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.059 175.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -123.99 157.35 34.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.99 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HB ' ' A' ' 44' ' ' THR . 12.3 m -128.01 105.44 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.958 0.409 . . . . 0.0 110.367 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.5 HD23 HG11 ' A' ' 70' ' ' VAL . 11.0 mp -82.95 143.62 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 69.5 mt-30 -95.51 133.41 39.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.442 ' CG2' HG23 ' A' ' 45' ' ' VAL . 9.0 t -115.9 100.55 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.412 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.977 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 16.7 mm-40 -91.94 120.35 32.52 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.5 53.78 0.59 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.063 -177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.8 mtt -97.8 -85.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.545 0.212 . . . . 0.0 111.388 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t 67.63 -75.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.65 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.9 m -92.51 152.77 19.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 0.0 111.62 -173.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -71.82 -21.58 78.92 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.949 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -64.8 -32.65 74.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.811 0.305 . . . . 0.0 110.253 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.41 ' O ' HG22 ' A' ' 23' ' ' ILE . 46.9 m -61.42 -41.91 97.9 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.102 0.477 . . . . 0.0 109.805 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 91.4 t -54.37 -51.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.416 176.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -63.37 -41.27 98.8 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.63 -56.69 18.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -64.23 -34.5 69.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.916 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB2' HG11 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -54.88 -53.73 51.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.917 0.389 . . . . 0.0 110.262 176.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.549 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.8 m -72.45 -30.65 64.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.205 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -56.6 -31.3 64.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.962 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.436 HG12 HG11 ' A' ' 33' ' ' VAL . 26.3 t -82.93 -53.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 171.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 21.2 ttmm -58.35 -39.95 80.9 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.3 -17.42 64.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.405 -176.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 59' ' ' ILE . 32.2 mt -74.76 165.08 25.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.643 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.462 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 27.9 t-20 -95.68 137.99 33.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.257 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.16 8.96 58.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.514 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG11 HG12 ' A' ' 27' ' ' VAL . 73.3 t -106.09 127.81 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 CA-C-O 121.246 0.545 . . . . 0.0 109.772 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.826 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 8.4 tp10 -96.41 -58.28 2.1 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.059 -177.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.826 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 97.2 mt-30 -138.63 154.85 48.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.453 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -147.22 107.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.328 0.585 . . . . 0.0 110.755 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -108.22 94.94 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.555 HG23 HG22 ' A' ' 45' ' ' VAL . 2.1 p -86.34 127.14 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.693 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -115.77 114.26 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.413 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.99 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.48 . . . . 0.0 110.304 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.28 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.797 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -79.38 -32.14 42.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.222 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.36 66.14 Favored Glycine 0 CA--C 1.506 -0.503 0 C-N-CA 120.153 -1.022 . . . . 0.0 110.98 -172.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.442 ' HB ' HG22 ' A' ' 8' ' ' THR . 40.3 p -141.99 166.51 24.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 -176.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 38' ' ' VAL . 40.8 t -129.45 118.64 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.928 175.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -85.26 105.13 15.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG12 HG23 ' A' ' 49' ' ' ILE . 17.3 t -109.7 139.85 31.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.35 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -109.87 103.24 12.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.091 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.507 HG23 HG12 ' A' ' 47' ' ' VAL . 42.8 pt -115.08 168.77 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -177.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -108.57 106.44 16.52 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 p -76.49 -4.04 40.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -170.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.4 m -90.66 2.87 55.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.349 0.595 . . . . 0.0 109.955 173.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.7 t -125.41 -65.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.519 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 10.4 p -109.32 141.19 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.5 p -100.15 161.17 13.78 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.556 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.35 -32.58 70.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 2.8 tmtp? -64.22 -43.53 94.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.783 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.98 -44.95 96.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.069 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.516 ' O ' HD13 ' A' ' 63' ' ' ILE . 43.9 mm -57.89 -56.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.081 176.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.571 HG13 ' HG3' ' A' ' 64' ' ' GLU . 4.4 t -55.98 -42.05 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.552 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.38 75.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.711 0.291 . . . . 0.0 111.29 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -77.47 -50.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.232 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 59' ' ' ILE . 1.4 mp -61.01 -46.18 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.987 -175.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' HG13 ' A' ' 60' ' ' VAL . 14.7 mt-10 -69.67 -28.83 66.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.382 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.69 -27.9 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.246 0.545 . . . . 0.0 110.448 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -76.37 2.59 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.147 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 31.31 8.15 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.557 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -119.96 145.85 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.719 0.295 . . . . 0.0 110.22 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.977 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 33.7 t70 -98.31 109.07 21.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 63' ' ' ILE . 26.3 t . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.708 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.687 0.28 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.3 mmt -82.39 117.04 22.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -112.97 127.55 56.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.134 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 38.3 mt-30 -111.72 131.95 54.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.46 138.42 36.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -107.99 104.73 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -100.71 144.76 29.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -177.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.606 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 91.8 mt-30 -85.49 132.8 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.844 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.672 HG21 HG23 ' A' ' 45' ' ' VAL . 25.3 t -118.73 122.65 69.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 112.129 -172.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.92 138.7 52.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.76 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.41 -5.78 5.94 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.951 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.516 ' SD ' HD22 ' A' ' 40' ' ' LEU . 64.4 mtt -63.94 107.92 1.36 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 110.088 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 m -107.54 -35.26 6.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.15 -177.47 5.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.439 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -64.23 -36.11 92.81 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.745 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -63.11 -20.73 65.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.848 0.324 . . . . 0.0 111.79 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.478 ' O ' HG22 ' A' ' 23' ' ' ILE . 78.7 m -60.97 -35.88 77.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.856 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.616 ' HB ' HD23 ' A' ' 40' ' ' LEU . 3.4 p -65.6 -42.82 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.057 0.456 . . . . 0.0 109.954 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -70.02 -43.13 71.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.175 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.96 67.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.438 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.2 tt -68.34 -34.78 67.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.731 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.27 -48.94 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -71.47 -31.41 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.119 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -53.81 -37.11 63.21 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.619 HG22 HD11 ' A' ' 63' ' ' ILE . 18.9 t -83.53 -55.66 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.931 173.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.27 -30.75 71.34 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -169.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.08 -14.77 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.991 0.424 . . . . 0.0 111.258 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.565 HD12 HD13 ' A' ' 59' ' ' ILE . 26.3 mt -79.11 137.16 37.37 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.758 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.11 121.42 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 7.38 17.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.777 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 49' ' ' ILE . 76.2 t -103.87 114.58 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.577 0.703 . . . . 0.0 109.465 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.506 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.7 tp10 -82.44 -56.27 3.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.343 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.506 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 49.1 mt-30 -139.17 157.02 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG23 HG22 ' A' ' 47' ' ' VAL . 3.3 p -164.3 117.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.196 0.522 . . . . 0.0 110.815 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -118.93 112.93 20.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.3 0.571 . . . . 0.0 110.538 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 20' ' ' VAL . 2.1 p -90.05 125.05 42.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.518 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.54 99.06 10.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.956 -177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.616 HD23 ' HB ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -63.87 -43.77 95.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 109.85 -178.451 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.59 72.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.025 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -91.15 -33.14 15.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.084 0.468 . . . . 0.0 111.132 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.447 ' HA2' ' HE3' ' A' ' 14' ' ' MET . . . 84.67 26.67 37.72 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.567 -175.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 10' ' ' GLN . 9.4 p -136.26 163.33 30.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.655 0.264 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.672 HG23 HG21 ' A' ' 11' ' ' VAL . 48.2 t -134.19 126.98 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -101.63 115.64 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.676 HG22 HG23 ' A' ' 36' ' ' VAL . 21.8 t -116.44 142.04 31.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.419 -174.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 m -114.57 104.83 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.546 HG23 HG12 ' A' ' 47' ' ' VAL . 42.1 pt -115.45 166.52 9.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.085 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 12.1 t0 -103.63 103.07 12.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 p -72.34 -8.9 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.921 0.391 . . . . 0.0 111.449 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -87.6 -8.68 55.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.462 0.648 . . . . 0.0 109.91 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.0 t -112.47 -64.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.236 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.97 148.68 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.5 p -92.45 158.95 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.201 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.45 -34.97 77.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -64.06 -38.98 93.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -55.13 -49.67 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.066 0.46 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.565 HD13 HD12 ' A' ' 30' ' ' LEU . 43.9 mm -55.93 -56.34 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.46 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.453 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -50.12 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.654 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 93.4 t -65.1 -43.71 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.239 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.619 HD11 HG22 ' A' ' 27' ' ' VAL . 78.5 mt -59.08 -51.06 77.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 111.09 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.15 -25.12 60.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.83 -28.56 69.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.005 0.431 . . . . 0.0 110.316 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 12.6 mm100 -75.29 -15.18 60.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 178.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.08 30.58 3.37 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.711 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -113.97 159.49 19.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.282 . . . . 0.0 110.515 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -116.73 109.97 17.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 172.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 16.0 m . . . . . 0 C--N 1.321 -0.672 0 CA-C-O 121.431 0.634 . . . . 0.0 111.861 -175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.7 mmm -85.34 117.67 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.002 0.43 . . . . 0.0 111.098 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 8.3 mm-40 -112.22 108.15 17.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 175.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -100.61 103.48 14.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -124.5 156.31 37.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.5 -174.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -110.13 124.52 51.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.188 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.03 144.48 44.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.376 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HA ' HG22 ' A' ' 44' ' ' THR . 28.3 pt20 -85.45 141.02 30.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.339 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.626 HG21 HG23 ' A' ' 45' ' ' VAL . 14.5 t -127.31 115.54 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.727 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.741 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 80.8 mm-40 -104.97 135.86 45.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.88 -24.87 8.18 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.414 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.558 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 25.4 ptt? -92.23 138.15 31.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.487 0.644 . . . . 0.0 111.294 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 p -147.66 -1.04 0.62 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.615 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -124.04 169.83 11.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.828 0.347 . . . . 0.0 111.66 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.4 93.46 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.647 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -58.51 -32.59 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.636 0.255 . . . . 0.0 110.942 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 14' ' ' MET . 57.1 m -59.09 -46.92 87.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' A' ' 38' ' ' VAL . 51.3 t -54.93 -54.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -61.46 -37.38 83.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.95 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.591 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.608 HG23 HG21 ' A' ' 38' ' ' VAL . 10.3 tt -77.95 -34.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.224 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.96 -50.38 70.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.892 0.377 . . . . 0.0 110.102 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.3 p -72.7 -30.11 63.95 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.107 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -53.83 -34.2 58.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.67 HG12 HG11 ' A' ' 33' ' ' VAL . 20.4 t -83.27 -51.14 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.934 173.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 18.5 tppt? -64.22 -30.81 71.85 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.89 -29.94 67.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.818 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.612 HD12 HD13 ' A' ' 59' ' ' ILE . 44.2 mt -77.16 151.83 35.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.044 -178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.557 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.9 m120 -87.22 127.73 35.16 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.63 12.05 23.67 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.67 HG11 HG12 ' A' ' 27' ' ' VAL . 54.9 t -106.42 114.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.26 0.552 . . . . 0.0 111.309 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.776 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 10.9 tp10 -87.92 -65.65 0.99 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.627 -178.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.776 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 81.4 mt-30 -122.17 141.86 51.01 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.054 -176.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.46 102.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.543 0.687 . . . . 0.0 110.135 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -109.3 100.18 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 20' ' ' VAL . 57.8 t -82.22 115.49 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.95 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 14.5 mm-40 -95.99 98.42 10.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.978 0.418 . . . . 0.0 110.367 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.7 -39.67 94.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.798 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.28 71.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.702 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -97.62 -26.9 14.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.682 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.27 21.05 59.38 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.475 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 10' ' ' GLN . 34.3 p -133.8 161.83 33.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG23 HG21 ' A' ' 11' ' ' VAL . 57.3 t -131.16 131.8 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.351 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -100.86 118.08 36.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG12 HG23 ' A' ' 49' ' ' ILE . 61.6 t -122.31 133.42 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 m -110.2 111.07 22.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.53 HG23 HG12 ' A' ' 47' ' ' VAL . 26.3 pt -114.59 168.34 6.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 0.0 111.288 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -101.59 101.64 12.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.356 168.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.411 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 44.6 t -75.94 0.13 19.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.139 -174.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -84.98 -9.22 58.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.341 0.591 . . . . 0.0 109.736 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.9 -67.72 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.504 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.7 p -100.2 150.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.326 -177.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -98.11 165.14 12.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.22 -32.93 72.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.856 0.36 . . . . 0.0 110.153 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -63.31 -40.22 96.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -54.78 -49.87 69.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.114 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.624 HD12 HG13 ' A' ' 27' ' ' VAL . 44.1 mm -54.46 -57.46 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.746 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.71 -45.33 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.369 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.11 80.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.514 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.02 -37.92 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.819 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.6 mt -60.79 -47.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.9 -28.32 68.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.714 0.292 . . . . 0.0 110.769 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.52 -23.78 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.244 0.545 . . . . 0.0 110.651 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.62 -14.49 59.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.212 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.47 37.42 1.93 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.109 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -125.63 154.31 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 110.405 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 32.7 t70 -106.86 109.16 20.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 C--N 1.322 -0.594 0 CA-C-O 121.158 0.504 . . . . 0.0 110.406 -177.364 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.444 ' HA ' ' OD2' ' A' ' 50' ' ' ASP . 48.7 m . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.597 0.236 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -80.67 -53.1 6.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.27 96.31 3.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.376 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 8.1 ptp -94.86 124.63 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.519 0.676 . . . . 0.0 112.104 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.09 135.71 49.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.808 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -91.63 105.77 17.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.53 135.54 53.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 m -112.72 114.07 26.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.402 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.5 mp -99.19 128.37 45.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.476 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -80.65 133.44 35.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 45' ' ' VAL . 12.3 t -121.21 118.26 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.668 -168.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 12.9 mm-40 -104.99 108.41 19.91 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.59 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -6.31 1.0 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.305 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 23' ' ' ILE . 61.4 mtm -93.63 90.27 6.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.282 0.541 . . . . 0.0 110.506 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m -101.15 -14.95 17.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.656 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -125.08 162.5 24.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.989 0.423 . . . . 0.0 111.797 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.6 -33.47 67.25 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.694 -0.685 . . . . 0.0 113.226 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -65.02 -22.57 67.01 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 117.283 0.542 . . . . 0.0 110.671 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' HG22 ' A' ' 23' ' ' ILE . 60.8 m -63.96 -36.52 84.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.161 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.8 t -50.29 -60.89 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.929 176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.03 -40.56 94.05 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.991 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.62 5.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.187 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.8 tt -67.65 -37.92 79.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 11.6 pt-20 -61.05 -42.54 98.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.85 -178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 37.4 m -73.07 -34.93 66.53 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.185 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.5 m -53.64 -36.75 62.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.99 0.424 . . . . 0.0 110.087 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.569 HG13 HD12 ' A' ' 59' ' ' ILE . 19.1 t -82.81 -49.26 17.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.375 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 4.2 tmtt? -58.15 -41.94 84.82 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 25' ' ' SER . 54.1 mt-10 -63.01 -24.42 67.91 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.942 0.401 . . . . 0.0 110.886 -177.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.07 120.52 15.04 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.401 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 125.78 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 0.0 110.698 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.09 -22.07 9.9 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.0 t -80.53 130.88 35.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.03 0.443 . . . . 0.0 110.013 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -91.56 -68.73 0.78 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.508 -176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -136.88 149.8 47.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.706 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG12 HG13 ' A' ' 47' ' ' VAL . 33.6 m -127.69 132.26 69.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.203 0.525 . . . . 0.0 110.334 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 46' ' ' GLU . 84.8 mttt -114.33 92.91 4.12 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 p -87.82 111.37 22.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.409 0.623 . . . . 0.0 110.013 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -100.6 94.08 5.93 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.736 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.19 -48.95 77.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.951 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.36 62.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.958 -174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -92.79 -25.56 18.09 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.244 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 27.76 50.99 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.755 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.4 p -136.17 149.06 48.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.024 0.44 . . . . 0.0 111.699 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.727 HG23 HG21 ' A' ' 11' ' ' VAL . 60.9 t -123.71 112.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.785 174.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 37.5 tt0 -93.36 109.64 21.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.644 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.574 HG13 HG12 ' A' ' 36' ' ' VAL . 27.0 t -116.74 135.0 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.873 0.368 . . . . 0.0 111.501 -174.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 4' ' ' MET . 7.6 m -96.83 110.12 22.67 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.4 pt -115.74 146.94 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.901 0.381 . . . . 0.0 111.724 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 1' ' ' SER . 62.8 t0 -87.44 102.55 14.66 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 169.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.8 t -75.62 0.97 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.552 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.5 t -91.52 1.04 57.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.256 0.55 . . . . 0.0 109.78 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.0 t -131.48 -62.4 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.584 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.03 146.83 8.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.728 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.457 ' O ' HG12 ' A' ' 59' ' ' ILE . 21.8 p -97.32 168.91 10.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.748 0.309 . . . . 0.0 110.583 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.81 -37.14 73.22 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -64.43 -42.85 95.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.315 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.2 -47.69 68.7 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 HG13 ' A' ' 27' ' ' VAL . 46.0 mm -56.17 -55.69 17.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.522 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.492 HG13 HG23 ' A' ' 70' ' ' VAL . 88.3 t -60.27 -49.38 84.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.18 -48.14 74.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.73 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 96.7 t -66.57 -44.45 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.908 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.454 HG21 HG11 ' A' ' 70' ' ' VAL . 62.6 mt -58.46 -48.78 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.281 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.595 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 31.3 mt-10 -68.02 -33.17 74.1 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.993 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.82 -31.66 72.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.059 0.456 . . . . 0.0 110.189 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 15.1 mm100 -74.58 -8.83 57.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.946 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.58 36.8 2.74 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.388 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 53.5 m-85 -128.52 148.71 50.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.965 0.383 . . . . 0.0 110.476 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 24.8 t70 -105.29 112.91 26.2 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.492 HG23 HG13 ' A' ' 60' ' ' VAL . 16.0 m -124.2 143.23 38.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.972 0.415 . . . . 0.0 111.239 -175.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.606 -0.711 . . . . 0.0 111.108 -176.003 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.77 0.319 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -115.94 -53.28 2.57 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.96 91.13 2.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.771 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.8 ptm -90.17 128.42 36.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.636 0.732 . . . . 0.0 111.838 -174.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 48' ' ' THR . 51.4 mm-40 -110.41 149.51 30.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.421 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 98.8 mt-30 -123.44 97.86 5.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.017 0.436 . . . . 0.0 110.296 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.61 HD22 HD12 ' A' ' 56' ' ' LEU . 50.9 tp -100.44 128.99 46.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.629 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -109.03 104.78 14.06 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.94 142.44 39.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.848 0.356 . . . . 0.0 111.296 -176.221 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.662 ' HA ' HG22 ' A' ' 44' ' ' THR . 46.2 mt-30 -81.33 138.46 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.109 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.803 HG21 HG23 ' A' ' 45' ' ' VAL . 56.9 t -113.15 115.57 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.946 0.403 . . . . 0.0 111.747 -173.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -96.63 109.92 22.45 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.24 -106.33 0.29 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.243 -0.503 . . . . 0.0 111.887 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.9 mmt 61.49 178.29 0.12 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.365 0.666 . . . . 0.0 112.376 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.7 t -174.34 -52.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.494 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -149.29 -169.49 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.354 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.72 -13.03 83.95 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.57 -0.824 . . . . 0.0 111.647 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -64.85 -50.48 66.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.383 . . . . 0.0 110.569 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 25.4 p -64.64 -24.12 67.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.86 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.11 -49.14 80.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -68.74 -33.25 73.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.915 0.388 . . . . 0.0 110.255 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.33 -57.9 10.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.388 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG23 HG21 ' A' ' 38' ' ' VAL . 12.8 tt -63.75 -33.9 64.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.975 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.07 -53.63 40.02 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.646 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 24.7 m -71.81 -31.74 66.87 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.535 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.8 m -53.82 -37.77 63.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.961 0.41 . . . . 0.0 110.001 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 47' ' ' VAL . 19.4 t -83.21 -48.39 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.511 172.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.646 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 29.0 tptp -59.14 -37.78 78.08 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.47 -25.43 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.055 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.6 mt -66.15 140.82 58.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.323 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.69 124.77 24.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.013 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.13 -15.47 33.26 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.918 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.429 HG22 HG22 ' A' ' 49' ' ' ILE . 87.3 t -81.41 125.89 39.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.18 0.514 . . . . 0.0 110.824 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.99 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 3.8 tp10 -89.52 -67.08 0.86 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.58 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.99 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 94.1 mt-30 -134.61 145.52 48.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.845 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 47' ' ' VAL . 38.3 t -129.13 123.29 58.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.037 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.783 ' HG3' ' HB3' ' A' ' 46' ' ' GLU . 14.5 ptmt -123.32 94.58 4.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.311 0.577 . . . . 0.0 110.449 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.795 HG13 HG22 ' A' ' 45' ' ' VAL . 54.2 t -87.33 130.72 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.816 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -109.22 123.13 48.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.394 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 -45.78 15.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.125 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.57 -54.94 41.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.912 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -73.28 -31.13 63.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.702 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.96 40.82 29.37 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 10' ' ' GLN . 18.1 p -133.88 147.13 51.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.849 0.356 . . . . 0.0 110.228 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.803 HG23 HG21 ' A' ' 11' ' ' VAL . 95.1 t -115.54 121.05 66.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.028 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.783 ' HB3' ' HG3' ' A' ' 37' ' ' LYS . 27.9 tt0 -106.45 124.52 49.72 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 27' ' ' VAL . 43.0 t -126.42 135.91 62.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.954 0.407 . . . . 0.0 111.401 -175.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 18.0 m -104.9 112.64 25.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.282 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 26.6 pt -121.57 154.08 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.624 -175.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -88.71 98.68 11.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 169.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.572 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 m -78.8 3.02 17.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.657 -170.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.8 m -80.8 -11.2 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.172 0.511 . . . . 0.0 109.722 171.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -121.19 -63.7 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.588 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 51' ' ' SER . 12.3 p -102.18 141.51 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.4 p -97.07 172.22 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.76 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.61 HD12 HD22 ' A' ' 7' ' ' LEU . 3.6 mm? -70.25 -31.3 68.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -64.3 -43.07 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.003 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.33 -45.6 80.27 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.01 0.433 . . . . 0.0 110.191 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.436 HD12 HG13 ' A' ' 27' ' ' VAL . 49.2 mm -58.8 -54.98 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.5 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.6 -43.67 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.546 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.6 89.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.543 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 95.0 t -75.11 -34.64 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.86 0.362 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.68 -49.54 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.45 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 32.1 mt-10 -66.17 -26.42 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.248 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.3 -24.8 68.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 73.2 mm-40 -80.71 -2.28 46.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.59 26.6 8.51 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.623 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 57.7 m-85 -114.85 149.44 37.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 0.0 110.451 178.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.44 100.98 9.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 171.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 11' ' ' VAL . 15.7 m -107.93 150.07 10.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.364 0.602 . . . . 0.0 112.23 -171.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 . . . . . 0 C--O 1.245 0.83 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.448 177.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -97.93 153.94 18.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.047 0.451 . . . . 0.0 110.672 -174.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.92 95.28 3.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.029 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 52.3 mtt -83.18 109.21 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.253 0.549 . . . . 0.0 112.258 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -104.7 142.33 34.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.753 176.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -108.83 96.92 6.65 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 3.0 mm? -92.83 125.53 37.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 9.4 m -111.85 104.71 13.03 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.871 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -103.63 146.51 28.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.885 -176.212 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 26.6 mt-30 -76.29 131.61 39.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.52 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.72 HG21 HG23 ' A' ' 45' ' ' VAL . 23.2 t -113.77 107.48 23.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.803 0.335 . . . . 0.0 111.431 -175.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.889 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 61.1 mm-40 -88.97 118.64 28.83 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.62 25.52 1.41 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.564 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.513 ' HG3' ' HA2' ' A' ' 43' ' ' GLY . 19.4 mmt -73.51 112.08 9.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.367 . . . . 0.0 110.251 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.657 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 43.3 t -102.28 -76.85 0.57 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.507 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -141.24 -177.15 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.603 0.24 . . . . 0.0 111.277 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.17 -40.61 84.27 Favored Glycine 0 CA--C 1.521 0.452 0 CA-C-N 115.921 -0.582 . . . . 0.0 114.332 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -61.13 -27.52 68.45 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 117.418 0.609 . . . . 0.0 111.447 -177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 31.2 m -64.17 -28.48 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.14 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.649 HG13 HG13 ' A' ' 38' ' ' VAL . 73.0 t -58.67 -56.24 17.83 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.404 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -61.91 -39.86 93.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.378 -178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -62.21 1.81 Allowed 'General case' 0 C--N 1.332 -0.194 0 O-C-N 123.592 0.557 . . . . 0.0 111.117 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 19' ' ' CYS . 11.0 tt -67.58 -34.61 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.004 -177.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.88 -60.01 3.31 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.432 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.6 m -73.17 -30.79 63.81 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.837 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -53.61 -34.53 58.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.318 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.647 HG13 HD12 ' A' ' 59' ' ' ILE . 35.4 t -84.02 -48.17 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 33' ' ' VAL . 61.7 tttm -64.08 -31.56 72.8 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -172.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.76 -11.61 61.06 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 111.266 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.661 HD12 HD13 ' A' ' 59' ' ' ILE . 30.4 mt -78.0 172.37 13.6 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.226 0.536 . . . . 0.0 111.367 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -85.04 153.05 22.98 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.29 17.51 66.22 Favored Glycine 0 C--O 1.228 -0.252 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.065 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 28' ' ' LYS . 77.8 t -103.13 115.71 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-O 121.551 0.691 . . . . 0.0 110.021 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -87.24 -55.61 3.73 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.775 -175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.44 153.86 31.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.737 HG12 HG13 ' A' ' 47' ' ' VAL . 35.9 m -130.73 156.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.341 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -144.19 93.95 2.51 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.649 HG13 HG13 ' A' ' 20' ' ' VAL . 2.3 p -87.89 109.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.395 0.617 . . . . 0.0 109.742 175.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -91.23 102.39 15.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.755 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.87 -47.66 82.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.193 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.33 68.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.977 0.417 . . . . 0.0 111.532 -175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -82.79 -22.95 34.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.513 ' HA2' ' HG3' ' A' ' 14' ' ' MET . . . 72.15 28.13 68.86 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.842 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -132.25 153.7 50.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.758 0.313 . . . . 0.0 110.713 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.72 HG23 HG21 ' A' ' 11' ' ' VAL . 76.6 t -129.93 120.11 48.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.077 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 36.6 tt0 -99.59 126.33 45.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.737 HG13 HG12 ' A' ' 36' ' ' VAL . 39.3 t -123.56 128.68 74.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.566 178.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.3 m -96.61 103.19 15.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.661 HG23 HG12 ' A' ' 47' ' ' VAL . 23.3 pt -117.08 162.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.157 0.503 . . . . 0.0 111.404 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -91.21 107.26 19.08 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.258 -0.883 . . . . 0.0 108.929 168.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.3 p -76.07 0.67 17.91 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 m -94.4 -7.1 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.4 t -123.31 -54.38 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.623 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -109.39 152.24 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 p -95.19 156.85 16.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 57' ' ' LYS . 4.4 pp -68.06 -28.8 67.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.3 tmtt? -64.72 -37.1 86.43 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 177.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -56.42 -46.71 80.09 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.661 HD13 HD12 ' A' ' 30' ' ' LEU . 42.7 mm -55.43 -56.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.215 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.622 HG13 HG23 ' A' ' 70' ' ' VAL . 60.7 t -57.37 -45.52 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.362 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.26 81.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.494 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 76.4 t -73.21 -43.87 56.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.695 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.3 mt -58.12 -52.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.694 -178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 42.8 mt-10 -64.18 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.986 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -62.4 -25.9 68.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 33.0 mm-40 -77.0 -9.79 58.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.35 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 43.53 1.3 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.529 -0.844 . . . . 0.0 112.497 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 81.2 m-85 -136.45 150.97 48.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.389 . . . . 0.0 110.449 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.889 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 9.1 m-20 -108.17 102.14 11.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.566 173.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.622 HG23 HG13 ' A' ' 60' ' ' VAL . 29.9 m -118.27 122.95 70.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.272 0.558 . . . . 0.0 110.89 -177.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.32 -176.6 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.683 0.278 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.497 ' HA ' ' HB2' ' A' ' 52' ' ' SER . 32.6 p30 -134.93 161.39 35.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.355 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.21 106.89 2.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.9 mmm -84.3 121.15 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -126.83 138.15 53.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.728 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -107.84 109.74 21.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -111.62 142.13 44.33 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -104.0 109.89 21.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.68 145.09 24.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.761 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -96.61 126.63 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.634 HG21 HG23 ' A' ' 45' ' ' VAL . 13.9 t -115.33 110.54 32.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.528 -170.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 8.1 mm-40 -93.1 130.99 38.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.368 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.05 68.41 1.29 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.459 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.488 ' SD ' HD22 ' A' ' 40' ' ' LEU . 52.9 mtt -97.24 -167.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.669 -0.313 . . . . 0.0 110.428 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -125.6 -81.7 0.63 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.957 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 t -167.82 -74.23 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.219 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.57 -53.43 0.23 Allowed Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.87 -173.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -67.07 -24.34 65.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.065 0.459 . . . . 0.0 111.183 -175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.606 ' O ' HG22 ' A' ' 23' ' ' ILE . 8.8 p -63.04 -23.92 67.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.773 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.43 -57.94 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.019 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.44 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.04 -33.56 76.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.526 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.9 -56.41 21.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.748 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 19' ' ' CYS . 6.9 tp -66.81 -40.22 85.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.995 0.426 . . . . 0.0 110.626 -179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -51.5 -55.02 21.24 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.551 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 14.7 p -73.17 -33.41 65.42 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.227 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.6 p -56.43 -32.7 65.14 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.208 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.565 HG13 HD12 ' A' ' 59' ' ' ILE . 22.7 t -82.94 -45.96 18.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 172.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.62 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 56.7 tptt -64.03 -31.76 73.06 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.66 -24.9 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.395 0.616 . . . . 0.0 110.473 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD21 HG21 ' A' ' 62' ' ' VAL . 43.4 mt -74.3 147.93 41.86 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.667 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -82.5 127.12 33.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.512 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.79 2.56 32.29 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.646 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 49' ' ' ILE . 74.3 t -105.03 122.76 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.823 0.344 . . . . 0.0 110.834 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 48' ' ' THR . 24.1 mm-40 -90.93 -67.99 0.82 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.812 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -124.74 141.32 52.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.582 -175.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 20.4 t -125.66 98.01 4.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.84 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' A' ' 46' ' ' GLU . 45.0 mtmt -95.05 93.52 7.42 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.9 0.381 . . . . 0.0 110.163 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.29 117.07 29.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.292 0.568 . . . . 0.0 110.485 175.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -96.5 93.36 6.75 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD22 ' SD ' ' A' ' 14' ' ' MET . 0.4 OUTLIER -62.71 -36.25 82.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.566 -173.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.29 -13.76 62.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.185 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.57 -35.7 4.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.963 0.411 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.84 28.43 13.98 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.391 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 p -130.15 151.78 50.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.672 0.272 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 HG21 ' A' ' 11' ' ' VAL . 69.3 t -129.82 120.89 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.848 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' HB2' ' HE3' ' A' ' 37' ' ' LYS . 52.6 mt-10 -94.16 118.81 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 27' ' ' VAL . 30.4 t -119.39 135.53 59.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.821 0.343 . . . . 0.0 111.439 -177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 34' ' ' GLU . 2.4 m -96.94 104.23 16.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.647 173.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.618 HG22 HG22 ' A' ' 33' ' ' VAL . 43.8 pt -115.55 151.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 111.252 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 2' ' ' ASN . 45.6 t0 -90.02 99.85 12.79 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 169.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -72.5 -3.73 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.497 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . 33.3 m -92.55 0.9 57.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.28 0.562 . . . . 0.0 109.873 174.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.58 -70.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.187 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -99.81 144.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.5 p -104.42 166.42 10.41 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.186 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.18 -37.79 81.28 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.807 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.544 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -58.3 -42.85 87.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.559 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -62.51 -42.51 99.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 110.031 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.565 HD12 HG13 ' A' ' 27' ' ' VAL . 35.7 mm -59.07 -51.58 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.597 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 t -54.0 -46.61 65.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.836 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.65 79.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.632 HG21 HD21 ' A' ' 30' ' ' LEU . 60.2 t -69.81 -45.42 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.201 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 49.5 mt -56.75 -51.57 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.647 0.261 . . . . 0.0 111.632 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 28.0 mt-10 -67.07 -31.41 71.88 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.983 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.52 -25.32 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.29 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.6 mm100 -79.47 -12.23 59.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.208 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.86 25.26 4.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.112 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 96.4 m-85 -113.52 153.33 28.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.545 0.212 . . . . 0.0 110.476 178.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 28.6 t70 -109.85 112.42 24.44 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG11 HG21 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -159.29 111.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.289 0.566 . . . . 0.0 110.679 -174.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.73 -179.026 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 13.3 m . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.718 0.294 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.63 -46.14 17.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.531 0.205 . . . . 0.0 111.035 -174.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.38 99.95 4.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.899 0.381 . . . . 0.0 109.99 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' A' ' 1' ' ' SER . 75.7 mmm -87.92 114.46 24.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.104 -173.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -115.22 126.86 55.05 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.116 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -111.25 113.94 26.78 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.808 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.03 145.18 50.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.738 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m -105.33 113.08 26.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.103 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.61 146.85 27.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 -177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.758 ' HA ' HG22 ' A' ' 44' ' ' THR . 15.2 pt20 -94.35 128.73 41.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 t -107.81 101.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.738 -174.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.87 117.07 29.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.2 34.7 0.93 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.49 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.5 mtt -78.62 138.27 38.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 111.585 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.9 t -92.74 3.48 55.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.984 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.1 t 70.02 139.69 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.634 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.19 -79.99 0.62 Allowed Glycine 0 CA--C 1.518 0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 113.548 175.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -58.35 -30.42 66.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.878 0.37 . . . . 0.0 111.233 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 23' ' ' ILE . 19.4 p -63.15 -27.23 69.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.178 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.8 -57.85 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.708 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -63.23 -38.91 93.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.964 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -51.75 61.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.839 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 19' ' ' CYS . 10.5 tp -69.48 -39.58 78.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.635 -176.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -57.6 -50.82 71.86 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.713 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.567 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 23.9 p -72.46 -32.34 66.17 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.432 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.6 t -53.32 -41.14 65.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.766 HG11 HG11 ' A' ' 47' ' ' VAL . 21.2 t -84.24 -43.6 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.288 174.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 40.3 ttmt -64.27 -32.73 74.45 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -173.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.6 mt-10 -67.34 -30.72 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.997 0.427 . . . . 0.0 110.45 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 62' ' ' VAL . 52.9 mt -62.33 138.99 58.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.045 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -78.11 120.64 23.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.12 15.6 8.34 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.471 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG22 HG22 ' A' ' 49' ' ' ILE . 71.4 t -118.53 127.09 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-O 121.16 0.505 . . . . 0.0 109.885 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.87 -52.92 4.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.029 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.5 148.48 28.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.673 HG13 HG22 ' A' ' 47' ' ' VAL . 22.3 t -127.85 116.22 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.667 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -114.53 94.83 4.96 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.776 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -83.16 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -108.81 98.36 7.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.535 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.64 -44.04 97.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.038 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.93 -44.43 63.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.2 -19.29 25.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.868 0.366 . . . . 0.0 111.552 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.33 44.47 13.26 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.459 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.758 HG22 ' HA ' ' A' ' 10' ' ' GLN . 1.4 p -145.25 161.55 39.29 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -176.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.776 HG22 HG23 ' A' ' 38' ' ' VAL . 8.7 t -134.45 127.96 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -97.77 107.4 19.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.347 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.766 HG11 HG11 ' A' ' 27' ' ' VAL . 36.4 t -113.65 140.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.576 -172.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.0 m -113.04 110.45 20.51 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 33' ' ' VAL . 18.3 pt -115.54 167.11 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -100.44 104.46 15.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 168.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -74.28 1.09 12.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.3 m -93.07 -6.38 48.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.17 0.509 . . . . 0.0 110.243 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -122.52 -51.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.99 -177.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -111.81 151.46 13.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.1 p -104.14 161.34 14.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.295 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.26 -35.04 77.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.7 tmtm? -63.61 -39.58 94.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.105 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 62' ' ' VAL . 63.9 m-20 -56.12 -49.62 73.4 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.036 0.446 . . . . 0.0 109.919 176.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.611 HD12 HG13 ' A' ' 27' ' ' VAL . 41.7 mm -55.84 -57.37 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.298 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.6 HG13 HG23 ' A' ' 70' ' ' VAL . 74.2 t -56.6 -50.59 72.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.104 -178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.05 86.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.833 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 86.8 t -66.31 -37.63 80.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.721 0.295 . . . . 0.0 110.633 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.6 mt -65.85 -50.22 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.366 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -62.86 -29.23 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.808 0.337 . . . . 0.0 110.586 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -65.06 -23.72 67.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.105 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 61.4 mm-40 -82.85 0.64 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.757 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.89 44.47 3.34 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.091 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD2' ' HB2' ' A' ' 66' ' ' GLN . 71.0 m-85 -131.78 157.93 42.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.686 0.279 . . . . 0.0 110.737 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -111.5 108.8 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.62 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.6 HG23 HG13 ' A' ' 60' ' ' VAL . 35.7 m -133.15 135.98 55.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.258 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.821 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.477 0.925 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -142.85 158.43 43.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.363 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.32 102.16 0.84 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.157 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.721 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -86.39 132.75 33.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.58 . . . . 0.0 111.453 -178.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' THR . 52.5 mm-40 -111.53 143.73 41.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.111 176.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -100.14 95.45 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD13 ' HG ' ' A' ' 56' ' ' LEU . 96.8 mt -109.59 121.66 45.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.096 -175.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 46' ' ' GLU . 90.1 m -98.99 104.72 16.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.949 178.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.542 HD11 ' HB ' ' A' ' 45' ' ' VAL . 1.5 pp -101.0 147.96 25.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.715 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' NE2' ' HB2' ' A' ' 71' ' ' GLN . 27.2 pt20 -91.02 142.83 27.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.146 0.498 . . . . 0.0 110.78 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.673 HG21 HG23 ' A' ' 45' ' ' VAL . 17.6 t -118.54 121.18 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.6 -174.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -109.52 125.53 52.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.807 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.14 47.49 1.14 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.395 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.2 mmt -76.62 125.03 28.54 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.654 -0.321 . . . . 0.0 110.439 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 7.1 m -65.44 -69.2 0.31 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.541 -177.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.4 p -164.38 -81.81 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.65 -53.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -61.47 -15.41 37.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.896 0.379 . . . . 0.0 111.189 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.58 ' O ' HG22 ' A' ' 23' ' ' ILE . 7.4 p -60.25 -31.88 70.62 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.637 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG13 ' HB ' ' A' ' 38' ' ' VAL . 96.3 t -61.85 -50.38 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.53 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -59.79 -44.01 94.15 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.637 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -56.95 15.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.433 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.698 HG23 HG21 ' A' ' 38' ' ' VAL . 11.4 tt -67.14 -34.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.974 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.34 -53.96 49.65 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.444 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.405 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 8.1 p -72.06 -32.27 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.581 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -54.72 -36.93 65.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.127 0.489 . . . . 0.0 110.1 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG13 HD12 ' A' ' 59' ' ' ILE . 58.3 t -83.08 -45.41 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.72 174.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 63.6 tttm -67.42 -31.5 71.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -171.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -67.01 -25.91 66.53 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 120.987 0.423 . . . . 0.0 110.646 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.31 133.44 54.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.58 -177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.22 114.43 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.65 -4.48 13.16 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.906 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 49' ' ' ILE . 70.7 t -94.85 115.11 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-O 121.55 0.691 . . . . 0.0 110.618 -178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -77.75 -56.11 4.78 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.058 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -149.96 155.77 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.156 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.612 HG23 HG22 ' A' ' 47' ' ' VAL . 3.2 p -148.4 116.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.606 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -108.2 107.55 18.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.617 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HG13 ' A' ' 20' ' ' VAL . 50.9 t -85.19 115.38 26.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.358 177.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -100.54 102.2 13.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.203 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -66.95 -48.0 69.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.357 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.74 -29.95 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.255 -175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -93.93 -29.34 15.32 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.911 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.56 36.36 16.93 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.779 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -138.09 162.9 32.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.918 0.389 . . . . 0.0 110.644 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG23 HG21 ' A' ' 11' ' ' VAL . 97.3 t -133.62 117.35 26.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.53 ' HG2' HG23 ' A' ' 8' ' ' THR . 19.4 mt-10 -94.49 108.74 20.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.658 HG12 HG23 ' A' ' 49' ' ' ILE . 6.1 t -112.55 136.56 48.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.974 -175.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 26.4 m -112.25 101.63 9.85 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.739 HG22 HG22 ' A' ' 33' ' ' VAL . 33.0 pt -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.013 -173.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -74.2 99.44 3.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.5 p -76.04 8.01 3.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.468 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 m -90.16 -16.68 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.271 0.558 . . . . 0.0 109.737 174.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.7 t -117.92 -65.58 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.951 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -99.84 140.4 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -95.67 166.08 12.0 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HG ' HD13 ' A' ' 7' ' ' LEU . 3.1 tm? -63.78 -30.98 72.02 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -64.1 -43.82 94.2 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.863 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -55.81 -44.7 78.1 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 110.31 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.616 HD12 HG13 ' A' ' 27' ' ' VAL . 46.0 mm -57.97 -55.87 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.387 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG13 ' HB ' ' A' ' 70' ' ' VAL . 58.2 t -63.08 -41.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.034 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.8 78.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.021 0.439 . . . . 0.0 111.365 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.6 t -73.49 -45.79 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.7 mt -54.15 -51.71 44.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.56 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 52.1 mt-10 -63.9 -32.87 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.191 -175.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.49 -24.88 65.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.459 . . . . 0.0 110.838 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.59 -14.68 61.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.998 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.22 42.71 0.75 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.886 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.438 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 84.9 m-85 -137.59 162.04 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.91 128.15 47.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.522 ' HB ' HG13 ' A' ' 60' ' ' VAL . 62.2 t -127.35 120.04 53.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.992 -175.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.409 ' HB2' ' NE2' ' A' ' 10' ' ' GLN . 58.6 mt-30 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.329 -0.843 . . . . 0.0 110.062 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.693 0.282 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.591 ' HB3' ' OD2' ' A' ' 50' ' ' ASP . 93.6 m-20 -121.85 159.94 25.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.389 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -152.56 116.14 4.77 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.516 0.198 . . . . 0.0 111.493 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.2 mmm -82.73 113.05 20.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -114.34 142.23 46.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.707 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -116.48 113.19 22.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.6 mt -115.14 168.59 9.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.832 0.348 . . . . 0.0 111.124 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.6 m -133.36 118.93 19.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.247 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -114.09 144.92 42.35 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.359 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.8 pt20 -77.69 141.82 39.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.435 ' HA ' HG12 ' A' ' 70' ' ' VAL . 2.1 p -117.97 102.86 13.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.609 0.718 . . . . 0.0 111.271 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 21.3 mm-40 -98.79 127.36 44.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.558 173.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.41 8.27 4.51 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.059 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.48 ' SD ' HD22 ' A' ' 40' ' ' LEU . 62.2 mtm -67.8 157.62 34.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.758 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 t -147.53 -72.64 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 0.0 110.458 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -121.43 -170.52 2.04 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.73 -20.73 68.57 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.841 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -73.55 -26.84 61.03 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.686 -0.302 . . . . 0.0 111.328 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.1 p -65.92 -26.35 67.56 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.764 HG13 ' HB ' ' A' ' 38' ' ' VAL . 91.1 t -58.54 -54.22 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.676 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -57.67 -41.43 81.55 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.56 -60.57 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.513 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.469 HG23 HG21 ' A' ' 38' ' ' VAL . 13.6 tt -70.7 -33.56 53.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.618 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 36' ' ' VAL . 36.0 tt0 -51.95 -55.63 19.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.476 177.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.555 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.3 m -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.63 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' HD23 ' A' ' 30' ' ' LEU . 68.4 m -55.73 -34.56 65.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.334 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 63' ' ' ILE . 15.1 t -84.25 -52.83 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.521 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.7 tptt -55.86 -41.37 74.26 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -172.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -62.58 -32.98 74.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.067 0.46 . . . . 0.0 111.104 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 1.6 mm? -55.94 130.01 42.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.305 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.531 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 13.7 t-20 -69.46 116.14 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.2 -9.71 11.04 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -90.62 134.33 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.788 0.328 . . . . 0.0 110.431 177.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -99.47 -69.69 0.76 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.002 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -132.63 145.68 51.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.834 0.35 . . . . 0.0 111.439 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.539 HG12 HG13 ' A' ' 47' ' ' VAL . 22.0 m -134.99 137.0 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -129.23 95.79 4.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.125 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.764 ' HB ' HG13 ' A' ' 20' ' ' VAL . 47.1 t -78.41 122.89 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.06 177.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -104.92 105.73 15.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.89 0.376 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD22 ' SD ' ' A' ' 14' ' ' MET . 1.1 tm? -65.3 -40.29 93.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.771 -175.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.24 83.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.871 0.367 . . . . 0.0 111.255 -175.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.23 -26.72 23.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.74 28.09 48.14 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.069 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -133.47 162.07 32.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG22 HG13 ' A' ' 38' ' ' VAL . 48.8 t -127.98 125.81 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -92.72 130.81 38.23 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.539 HG13 HG12 ' A' ' 36' ' ' VAL . 52.9 t -133.59 130.81 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.918 0.389 . . . . 0.0 111.509 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.2 m -99.21 109.53 22.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.197 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.533 HG23 HG12 ' A' ' 47' ' ' VAL . 35.6 pt -115.81 168.07 7.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.146 0.498 . . . . 0.0 110.955 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.591 ' OD2' ' HB3' ' A' ' 2' ' ' ASN . 12.3 t0 -103.9 101.81 11.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 168.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.5 t -77.56 4.11 12.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.296 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.4 m -98.04 -3.27 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.207 0.527 . . . . 0.0 109.976 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 81.8 t -120.7 -64.41 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.479 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.6 p -102.06 154.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.004 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.6 p -100.27 164.77 11.8 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 pp -75.32 -30.16 60.23 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.453 -0.499 . . . . 0.0 109.899 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 6.8 tmtm? -68.08 -43.88 77.57 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 -176.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.21 -48.84 75.64 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.058 0.456 . . . . 0.0 110.515 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.677 HG21 HG13 ' A' ' 27' ' ' VAL . 55.6 mt -58.95 -54.44 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.482 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.589 HG13 HG23 ' A' ' 70' ' ' VAL . 50.5 t -55.57 -42.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.14 -43.95 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.785 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 30' ' ' LEU . 77.8 t -66.5 -43.32 90.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 27' ' ' VAL . 64.6 mt -62.92 -47.29 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.582 -178.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 35.6 mt-10 -68.7 -25.27 64.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.682 -178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.44 -20.17 65.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -79.71 -10.4 59.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.427 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.28 2.74 33.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.343 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.56 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 98.7 m-85 -91.27 158.03 16.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.898 0.38 . . . . 0.0 110.949 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 4.7 m-20 -116.74 104.88 11.79 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 171.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 60' ' ' VAL . 34.0 m -122.4 145.76 28.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.558 -173.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.34 -178.455 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.63 133.65 54.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.48 95.99 5.42 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.3 mmm -86.72 97.0 10.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.515 -174.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -101.64 130.4 47.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.517 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -98.83 108.23 20.87 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -115.61 145.46 42.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.812 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.1 m -109.94 104.94 13.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.936 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp -88.33 136.48 32.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.249 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.631 ' HA ' HG22 ' A' ' 44' ' ' THR . 16.0 pt20 -92.15 118.73 31.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.121 0.486 . . . . 0.0 110.42 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.549 ' HA ' HG22 ' A' ' 70' ' ' VAL . 13.5 t -108.6 100.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.179 -175.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -98.59 116.11 30.11 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.507 -177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.91 42.88 0.76 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.846 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.6 mmt -58.58 149.88 24.48 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.043 0.449 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.5 t -82.08 -74.99 0.32 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.189 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.5 p -160.63 -90.32 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.92 -54.51 0.07 OUTLIER Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.122 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -61.03 -22.32 64.44 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.24 0.543 . . . . 0.0 110.638 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.2 p -61.45 -24.48 66.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.972 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG13 HG13 ' A' ' 38' ' ' VAL . 75.1 t -56.98 -56.96 11.77 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.117 0 O-C-N 123.198 0.311 . . . . 0.0 110.7 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -69.44 -32.22 71.03 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.645 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.42 -56.42 22.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.18 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.7 tt -68.43 -34.6 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.715 0.293 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.33 -52.82 60.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.483 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 46.2 m -72.4 -30.34 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.47 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.595 ' HB3' HG12 ' A' ' 62' ' ' VAL . 73.4 m -53.58 -37.77 63.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG13 HD12 ' A' ' 59' ' ' ILE . 46.9 t -83.34 -51.79 13.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.046 173.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 24.7 ttmm -58.4 -40.05 81.37 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.84 -22.77 67.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.831 0.348 . . . . 0.0 111.567 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.618 HD12 HD13 ' A' ' 59' ' ' ILE . 16.4 mt -71.4 132.95 45.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.475 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 26.8 t-20 -72.93 127.61 33.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.021 0.438 . . . . 0.0 111.16 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.65 0.61 27.56 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.582 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.433 HG11 HG12 ' A' ' 27' ' ' VAL . 77.0 t -95.33 122.51 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.294 0.568 . . . . 0.0 110.867 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -67.42 0.76 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -136.03 148.71 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.647 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG21 ' HB ' ' A' ' 27' ' ' VAL . 2.6 p -138.88 114.58 9.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.152 0.501 . . . . 0.0 110.364 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -116.88 101.41 8.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.34 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 45' ' ' VAL . 3.9 p -85.5 117.4 30.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.347 0.594 . . . . 0.0 110.408 177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -94.2 101.1 13.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.4 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 40' ' ' LEU . 1.4 tm? -63.26 -41.35 99.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.979 -177.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.01 -52.14 66.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.556 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -72.8 -34.84 67.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.38 . . . . 0.0 111.377 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.37 35.81 11.61 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.53 -0.843 . . . . 0.0 111.127 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 10' ' ' GLN . 21.7 p -139.91 160.27 40.28 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 HG23 ' A' ' 38' ' ' VAL . 33.6 t -128.44 120.43 52.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.745 0.307 . . . . 0.0 110.29 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.71 112.39 24.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.577 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.71 128.26 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.337 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -96.02 111.7 23.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.5 pt -114.85 152.69 16.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.781 0.324 . . . . 0.0 111.072 -176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.04 95.66 10.41 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.0 t -74.74 -3.27 30.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.228 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.7 m -84.68 -13.69 50.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.173 0.511 . . . . 0.0 109.906 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.2 t -117.99 -62.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.136 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.5 p -101.96 148.05 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.1 p -97.99 158.1 15.73 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.84 -29.22 69.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -59.09 -40.62 85.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.54 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 62' ' ' VAL . 51.1 m-20 -56.03 -49.67 73.06 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.127 0.489 . . . . 0.0 110.032 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.768 HD12 HG13 ' A' ' 27' ' ' VAL . 36.8 mm -58.22 -52.07 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.284 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.07 -47.4 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.117 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.09 -50.0 72.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.69 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.595 HG12 ' HB3' ' A' ' 26' ' ' SER . 47.4 t -65.93 -37.38 79.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.881 -178.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -65.8 -47.26 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.973 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.21 -26.57 65.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.034 0.445 . . . . 0.0 110.592 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -63.63 -26.11 68.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.973 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -73.43 -9.96 59.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.827 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.25 27.82 6.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -116.15 160.16 20.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -114.19 117.62 31.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 11' ' ' VAL . 87.1 t -132.89 128.79 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.402 -176.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--O 1.25 1.102 0 O-C-N 123.897 0.748 . . . . 0.0 110.361 177.885 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.55 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 46.8 p . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 121.261 0.553 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -107.76 115.02 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.946 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.56 82.57 0.16 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 -174.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 1' ' ' SER . 89.6 mmm -87.41 101.96 14.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.664 -175.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.53 113.87 25.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.235 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -101.5 115.54 30.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.83 146.59 49.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 111.136 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -110.79 104.53 13.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.104 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.33 141.38 28.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.335 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.609 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 8.5 pt20 -83.24 146.55 28.51 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 172.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 p -131.35 111.73 19.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.55 0.69 . . . . 0.0 111.431 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.807 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 5.7 mm-40 -87.19 111.93 21.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.638 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.37 -110.77 0.46 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.837 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.424 ' HE1' ' HA2' ' A' ' 43' ' ' GLY . 58.5 mtt 62.54 -170.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.289 0.636 . . . . 0.0 112.077 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 p -158.66 -73.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.774 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.2 t -153.83 -56.41 0.11 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.913 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -141.14 -33.69 0.12 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.388 -0.911 . . . . 0.0 113.318 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -63.42 -49.35 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.062 0.431 . . . . 0.0 110.949 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.458 ' O ' HG22 ' A' ' 23' ' ' ILE . 96.8 m -63.6 -24.49 67.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.691 0.281 . . . . 0.0 111.23 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 76.7 t -61.71 -58.04 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -73.52 -23.62 60.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.723 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -57.31 12.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.471 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.4 tt -67.96 -34.58 67.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.647 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 40.2 tt0 -53.27 -52.62 58.45 Favored 'General case' 0 C--O 1.227 -0.13 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.299 177.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.0 p -73.46 -30.71 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.904 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.468 ' O ' HD23 ' A' ' 30' ' ' LEU . 71.3 m -53.35 -40.83 65.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.501 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.617 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 5.7 p -83.88 -43.96 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.031 0.443 . . . . 0.0 111.163 173.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 7.6 tmtm? -57.46 -39.96 77.45 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.276 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -61.88 -23.79 66.53 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 3.9 mm? -62.42 129.53 41.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.358 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.533 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 51.3 t30 -71.46 111.43 6.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.602 -178.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.94 18.03 4.83 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.045 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.72 122.55 59.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.113 0.483 . . . . 0.0 110.569 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.8 -66.61 0.82 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.729 -177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -138.04 152.56 48.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.665 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -129.18 122.04 55.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.271 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 9.1 mtpm? -114.68 94.23 4.68 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.25 124.36 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.251 0.548 . . . . 0.0 110.013 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -106.01 95.79 6.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.355 -175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 20' ' ' VAL . 3.0 tm? -63.33 -35.79 81.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.706 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.78 55.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -101.56 -21.42 14.73 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -174.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' HA2' ' HE1' ' A' ' 14' ' ' MET . . . 73.74 30.36 61.89 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.728 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' GLN . 22.8 p -134.64 165.8 24.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -134.92 124.81 44.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.226 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 43.9 mt-10 -98.4 115.83 29.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.864 177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -126.91 128.89 71.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.825 0.345 . . . . 0.0 111.429 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.5 m -101.96 118.19 36.39 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 172.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 4' ' ' MET . 18.6 pt -115.65 160.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.187 0.518 . . . . 0.0 112.034 -175.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -93.56 103.71 15.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 168.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.3 t -77.78 -0.03 25.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.019 0.438 . . . . 0.0 111.374 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.5 m -91.25 -13.1 33.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.085 0.469 . . . . 0.0 110.066 175.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.7 t -115.42 -58.65 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.276 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.533 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 9.7 p -105.08 156.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -177.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.2 p -108.06 160.99 15.36 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.1 tp -69.1 -36.14 77.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.893 0.377 . . . . 0.0 110.288 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -42.62 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 62' ' ' VAL . 19.2 m-20 -58.09 -41.64 83.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.052 0.453 . . . . 0.0 110.273 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.69 -51.49 61.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.777 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 71.6 t -55.93 -43.21 74.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.572 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.66 -54.76 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.078 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 HD21 ' A' ' 30' ' ' LEU . 93.3 t -60.01 -44.02 93.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.585 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG21 HG11 ' A' ' 70' ' ' VAL . 72.7 mt -64.22 -50.06 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.6 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 38.7 mt-10 -66.41 -30.77 71.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 110.457 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -63.51 -21.96 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.767 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 14.2 mm-40 -84.73 2.94 39.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.797 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.32 44.29 4.39 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -129.81 154.63 47.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.807 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 35.4 t70 -113.84 100.39 8.4 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 172.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 17.9 m -112.08 164.55 7.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.896 0.379 . . . . 0.0 111.706 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.882 -178.027 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m120 60.04 82.48 0.15 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.676 0.61 . . . . 0.0 111.585 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.83 119.08 30.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.255 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.5 mmm -82.54 122.55 28.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -119.97 144.87 47.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -114.78 116.82 29.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.2 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.781 ' HG ' HD12 ' A' ' 56' ' ' LEU . 3.0 mm? -121.5 162.03 21.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -118.86 113.92 21.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.075 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 9' ' ' LEU . 6.8 mp -100.64 133.91 44.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.136 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.601 ' HA ' HG22 ' A' ' 44' ' ' THR . 1.6 pt20 -90.81 127.54 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 110.221 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.526 ' HA ' HG22 ' A' ' 70' ' ' VAL . 10.8 t -113.3 106.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.828 -174.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 43.4 mt-10 -94.73 123.86 38.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.282 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.03 40.96 2.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.023 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.504 ' SD ' ' HA2' ' A' ' 43' ' ' GLY . 50.9 mtt -77.96 124.74 28.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.899 0.35 . . . . 0.0 110.789 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -76.73 -2.06 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.212 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.624 ' HA ' HD21 ' A' ' 40' ' ' LEU . 42.1 t 72.33 164.78 0.29 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.363 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.62 -105.7 0.89 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.754 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.88 -12.94 60.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.24 0.543 . . . . 0.0 110.916 -175.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' O ' HG22 ' A' ' 23' ' ' ILE . 46.4 t -54.0 -35.17 61.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.498 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG13 HG13 ' A' ' 38' ' ' VAL . 69.9 t -57.45 -63.44 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.264 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.44 -37.41 75.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.113 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -60.06 4.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.212 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -67.87 -34.45 67.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.905 -176.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HG3' ' CG2' ' A' ' 36' ' ' VAL . 45.1 tt0 -55.27 -46.34 76.14 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.144 177.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 26.2 m -72.53 -34.74 67.77 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.292 178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 m -54.38 -32.45 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 0.0 110.301 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.652 HG13 HD12 ' A' ' 59' ' ' ILE . 13.7 t -83.38 -55.28 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.614 172.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 20.4 ttmm -57.37 -38.38 74.13 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.89 -19.1 64.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.141 0.496 . . . . 0.0 111.086 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 62' ' ' VAL . 36.4 mt -78.08 148.18 34.35 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.248 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 29.6 t30 -78.41 128.69 33.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.296 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.29 13.78 27.77 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.417 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 27' ' ' VAL . 86.4 t -104.55 136.52 37.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 O-C-N 122.637 -0.331 . . . . 0.0 110.538 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.725 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.8 tp10 -101.59 -69.14 0.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.514 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.725 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 21.3 mt-30 -143.45 149.17 37.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.189 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.686 HG12 HG13 ' A' ' 47' ' ' VAL . 27.0 m -130.1 137.81 55.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.25 0.548 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 44.6 mtpt -117.34 91.45 3.58 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG23 HG22 ' A' ' 45' ' ' VAL . 2.7 p -88.12 115.94 29.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 0.0 110.56 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -96.82 103.65 15.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.654 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.624 HD21 ' HA ' ' A' ' 16' ' ' CYS . 2.2 tm? -63.26 -48.02 79.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.994 0.426 . . . . 0.0 110.002 -177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.24 83.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.672 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -82.76 -34.75 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.721 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.504 ' HA2' ' SD ' ' A' ' 14' ' ' MET . . . 82.34 31.18 31.64 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.387 -176.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 10' ' ' GLN . 22.9 p -139.57 154.75 47.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.683 0.278 . . . . 0.0 110.809 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 38' ' ' VAL . 22.9 t -127.26 121.28 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.893 0.378 . . . . 0.0 110.764 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.718 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 41.1 mt-10 -88.26 110.87 21.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.371 174.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.686 HG13 HG12 ' A' ' 36' ' ' VAL . 22.6 t -116.33 136.73 52.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.062 0.458 . . . . 0.0 112.016 -173.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 m -103.39 114.59 28.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 171.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.446 HG23 HG12 ' A' ' 47' ' ' VAL . 43.0 pt -121.75 156.31 26.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -175.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -80.06 97.99 7.05 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.399 167.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.8 p -68.33 -9.93 51.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.224 0.535 . . . . 0.0 111.044 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 m -87.61 -5.77 58.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.577 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -125.39 -64.23 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -176.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 7.1 p -106.25 138.55 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 p -94.28 165.39 12.61 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.735 -0.386 . . . . 0.0 109.991 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.781 HD12 ' HG ' ' A' ' 7' ' ' LEU . 10.1 tt -61.68 -40.49 95.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.401 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.588 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 7.2 tmtm? -66.97 -31.26 71.71 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.696 -178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -55.89 -51.93 65.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.238 0.542 . . . . 0.0 109.822 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.652 HD12 HG13 ' A' ' 27' ' ' VAL . 38.2 mm -54.81 -51.63 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.109 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG13 ' HB ' ' A' ' 70' ' ' VAL . 89.7 t -58.66 -45.47 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.457 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.53 -43.52 84.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.517 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.615 HG21 HD21 ' A' ' 30' ' ' LEU . 61.8 t -70.53 -36.47 66.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.93 0.395 . . . . 0.0 110.514 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 68' ' ' TYR . 72.8 mt -66.55 -39.82 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.552 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 45.7 mt-10 -71.77 -39.06 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.874 0.369 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.06 -19.96 64.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.493 0.663 . . . . 0.0 109.993 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.26 -1.85 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.734 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.39 16.05 25.92 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.621 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.552 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 83.1 m-85 -108.46 157.4 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.033 0.444 . . . . 0.0 111.214 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.662 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 13.2 m-20 -110.19 106.7 16.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 176.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.67 ' HB ' HG13 ' A' ' 60' ' ' VAL . 97.6 t -126.24 126.78 69.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.396 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.233 -179.308 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.912 0.387 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -126.35 -40.02 2.0 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.36 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.24 101.9 2.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.092 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.445 ' HE3' ' HG3' ' A' ' 34' ' ' GLU . 12.2 ptm -103.79 118.82 37.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.494 0.664 . . . . 0.0 111.477 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.42 150.11 22.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.991 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -101.08 120.35 40.08 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -126.85 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.931 0.396 . . . . 0.0 111.531 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' HG2' ' A' ' 46' ' ' GLU . 28.9 m -116.22 104.68 11.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.842 177.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.11 135.07 34.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.671 0.272 . . . . 0.0 111.191 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 68.1 mm-40 -88.69 113.59 24.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.661 176.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.624 HG21 HG23 ' A' ' 45' ' ' VAL . 15.4 t -111.56 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.991 -173.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.53 128.98 48.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.136 177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.47 29.85 1.38 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.508 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 mmt -65.7 126.51 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.691 0.281 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.624 ' HB3' ' SG ' ' A' ' 19' ' ' CYS . 46.3 t -93.29 -77.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.431 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -142.88 -173.97 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.707 0.289 . . . . 0.0 111.127 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.25 -38.03 91.44 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 113.466 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.384 -0.48 . . . . 0.0 110.145 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 15' ' ' SER . 63.8 m -65.06 -26.88 68.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.431 178.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG22 HD23 ' A' ' 40' ' ' LEU . 59.3 t -62.73 -48.05 89.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.275 176.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -65.07 -42.09 94.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.928 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.32 -55.65 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.654 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 19' ' ' CYS . 9.8 tt -63.48 -37.58 79.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 120.633 0.254 . . . . 0.0 110.7 -177.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.47 -57.23 11.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.987 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 p -72.42 -30.05 64.28 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.786 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.4 m -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.026 0.441 . . . . 0.0 110.191 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.75 HG13 HD12 ' A' ' 59' ' ' ILE . 61.4 t -82.46 -45.05 19.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.667 172.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -42.56 98.11 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.929 -175.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.74 -21.79 66.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.638 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 59' ' ' ILE . 18.2 mt -67.21 143.34 56.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.896 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -77.25 131.48 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.232 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.54 -11.65 54.02 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.869 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG22 HG22 ' A' ' 49' ' ' ILE . 66.1 t -85.48 121.79 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' HG3' ' HE3' ' A' ' 4' ' ' MET . 60.1 mm-40 -86.79 -68.96 0.71 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.612 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -132.9 138.68 47.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.844 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 47' ' ' VAL . 2.9 p -133.34 126.57 52.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -125.46 109.45 12.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.484 0.659 . . . . 0.0 110.297 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.557 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -85.84 125.91 40.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.063 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -104.87 93.37 4.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.761 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD23 HG22 ' A' ' 20' ' ' VAL . 3.1 tm? -62.82 -36.82 84.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.109 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.25 70.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.347 -176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -105.74 -31.52 8.84 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.92 35.9 6.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.135 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 10' ' ' GLN . 5.0 p -135.48 159.93 40.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.143 0.497 . . . . 0.0 111.677 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.624 HG23 HG21 ' A' ' 11' ' ' VAL . 59.5 t -134.44 114.28 18.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.67 175.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' HG2' HG23 ' A' ' 8' ' ' THR . 30.6 mt-10 -96.29 123.19 39.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.923 0.392 . . . . 0.0 109.95 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.672 HG22 HG23 ' A' ' 36' ' ' VAL . 8.8 t -130.13 143.36 41.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.996 -174.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -102.18 107.3 18.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.435 HG22 HG22 ' A' ' 33' ' ' VAL . 31.1 pt -115.44 147.24 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 0.0 111.002 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -83.9 102.75 12.62 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 171.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 p -73.66 -4.29 33.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.486 -171.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -85.28 -6.26 59.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.281 0.562 . . . . 0.0 109.497 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -127.15 -66.13 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.524 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.7 p -98.13 137.51 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.9 p -99.65 -175.96 3.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.231 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 60' ' ' VAL . 4.4 mp -71.29 -44.29 65.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -52.47 -38.29 59.05 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.928 0.768 . . . . 0.0 111.56 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.93 -52.44 65.2 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.198 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.768 HD13 HD12 ' A' ' 30' ' ' LEU . 25.4 mm -65.27 -48.45 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.218 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 56' ' ' LEU . 49.7 t -56.97 -54.71 26.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.085 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.99 95.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.809 -176.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.596 HG11 HD11 ' A' ' 30' ' ' LEU . 8.5 p -64.94 -31.85 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.97 0.414 . . . . 0.0 110.578 -178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.534 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 67.4 mt -70.82 -55.86 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.087 174.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 50.4 mt-10 -59.26 -34.33 72.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.957 -173.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.34 -25.79 67.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.713 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.534 ' NE2' ' HA ' ' A' ' 63' ' ' ILE . 42.7 mt-30 -74.66 -9.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.761 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.55 35.93 1.66 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.97 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.503 ' OH ' ' HB3' ' A' ' 19' ' ' CYS . 76.3 m-85 -125.65 171.91 10.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.023 0.44 . . . . 0.0 110.618 -178.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -134.35 121.43 21.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.487 174.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 25.3 t -118.92 131.17 72.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.799 0.333 . . . . 0.0 110.236 -177.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.892 -179.371 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 120.858 0.361 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -129.16 161.92 28.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.276 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.63 99.44 2.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.939 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 85.9 mmm -76.83 119.39 20.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.676 -176.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' THR . 61.9 mm-40 -105.1 111.17 23.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.657 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.79 104.01 16.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 173.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.8 mt -119.47 135.11 54.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.82 0.343 . . . . 0.0 111.328 -173.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.0 m -105.01 104.94 14.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.038 173.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.4 mp -93.42 127.19 38.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.554 -177.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.2 pt20 -82.47 127.42 33.28 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.0 105.1 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.362 -172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -92.0 112.94 25.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.653 173.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 33.81 0.98 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.821 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.8 mmt -65.66 138.51 58.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.584 0.231 . . . . 0.0 110.57 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.454 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 48.2 t -88.47 -86.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.425 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.1 m -149.52 -74.38 0.17 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.809 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.28 -47.66 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.425 -0.893 . . . . 0.0 113.349 -177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -68.3 -15.76 63.69 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.104 0.478 . . . . 0.0 110.571 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.597 ' O ' HG22 ' A' ' 23' ' ' ILE . 7.2 p -62.55 -31.05 71.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.461 178.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' A' ' 38' ' ' VAL . 75.1 t -63.84 -54.8 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.092 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.21 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -50.41 -49.36 54.87 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.799 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -63.23 1.25 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.587 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.667 HG23 HG21 ' A' ' 38' ' ' VAL . 9.8 tt -64.12 -37.59 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -174.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -54.68 -55.77 26.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.456 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 p -72.39 -30.34 64.58 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.485 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -53.51 -36.52 61.82 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.94 -47.02 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.131 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -63.55 -31.77 73.04 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.05 -25.34 65.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.034 0.445 . . . . 0.0 110.757 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 mt -66.14 141.37 58.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.179 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.532 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 33.7 t30 -77.47 121.26 23.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.812 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.88 8.9 21.67 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.583 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.536 HG22 HG22 ' A' ' 49' ' ' ILE . 78.5 t -104.38 114.22 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-O 121.737 0.78 . . . . 0.0 110.033 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 48' ' ' THR . 8.3 tp10 -76.41 -48.9 18.2 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.424 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.488 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 3.9 pt20 -156.85 161.93 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.568 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.637 HG23 HG22 ' A' ' 47' ' ' VAL . 3.5 p -159.6 116.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 37' ' ' LYS . 3.2 mppt? -118.85 116.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.428 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' A' ' 20' ' ' VAL . 40.2 t -93.97 114.62 30.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.108 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.465 HE21 ' HB2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -95.61 110.82 22.87 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.352 178.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.53 -39.9 80.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.359 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.991 0.425 . . . . 0.0 110.793 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -79.41 -34.29 41.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.058 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.61 21.42 66.58 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 10' ' ' GLN . 46.9 p -132.0 161.33 33.42 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.447 -0.377 . . . . 0.0 110.454 -178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.624 HG22 HG13 ' A' ' 38' ' ' VAL . 42.4 t -126.1 122.98 62.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.326 178.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -92.63 110.25 21.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 36' ' ' VAL . 25.3 t -117.04 138.15 48.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.773 -176.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.488 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 18.0 m -119.92 108.81 14.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 174.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.536 HG22 HG22 ' A' ' 33' ' ' VAL . 38.0 pt -115.95 170.86 5.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 -177.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -103.14 106.29 16.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 52.0 p -72.3 -7.46 49.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.017 0.437 . . . . 0.0 111.079 -175.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -89.58 2.13 55.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.411 0.624 . . . . 0.0 109.802 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.5 t -126.95 -61.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.99 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 51' ' ' SER . 13.7 p -112.75 136.51 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.7 p -81.69 156.69 24.92 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.497 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -68.75 -31.87 71.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.849 -178.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 4.2 tmtt? -68.4 -34.27 75.72 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.464 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 62' ' ' VAL . 2.9 m-20 -60.23 -43.89 95.66 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 49' ' ' ILE . 46.3 mm -56.65 -53.78 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 43.1 t -61.31 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.169 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -47.94 80.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.428 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 94.2 t -59.78 -46.23 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.4 mt -57.9 -48.2 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.955 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 46.0 mt-10 -63.44 -42.51 98.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.729 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.17 -26.95 69.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.1 mm100 -76.67 3.81 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.631 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.84 27.69 6.22 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.647 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 89.9 m-85 -124.08 164.45 19.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.664 -0.315 . . . . 0.0 110.231 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -129.74 115.31 17.11 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.39 118.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.049 0.452 . . . . 0.0 111.121 -174.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.391 -0.814 . . . . 0.0 110.014 177.397 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -140.31 149.09 42.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.842 0.353 . . . . 0.0 110.258 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -139.37 107.89 5.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.961 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 29.0 mmt -83.04 94.41 7.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 111.188 -177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.66 118.08 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.375 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -93.24 106.08 18.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 56' ' ' LEU . 10.8 mp -93.26 152.55 19.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.044 -178.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.438 HG23 ' HG2' ' A' ' 46' ' ' GLU . 3.4 m -134.87 103.87 5.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.414 177.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' CD1' ' HB ' ' A' ' 45' ' ' VAL . 1.1 pp -114.75 145.1 42.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.603 0.24 . . . . 0.0 111.414 -176.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HA ' HG22 ' A' ' 44' ' ' THR . 49.2 mt-30 -82.96 146.47 28.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' A' ' 70' ' ' VAL . 20.2 t -116.01 106.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -175.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 69' ' ' ASP . 12.2 tp10 -96.95 110.19 22.77 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.26 32.29 0.27 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.983 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.9 mmt -81.99 95.61 7.46 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.1 p -91.69 -31.29 15.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.765 0.317 . . . . 0.0 111.428 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 18' ' ' HIS . 14.2 p -161.53 179.2 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 -176.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.7 -18.79 74.33 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.283 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.5 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 62.6 m170 -62.67 -27.71 69.42 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.556 0.217 . . . . 0.0 110.583 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' ILE . 65.7 m -56.95 -35.49 69.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.429 HG13 ' CG1' ' A' ' 38' ' ' VAL . 74.7 t -48.76 -61.3 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.344 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.79 -37.18 84.07 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.93 -58.21 9.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.815 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' CYS . 19.1 tt -69.96 -34.33 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.037 -177.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.508 ' HG2' ' HB ' ' A' ' 36' ' ' VAL . 5.4 tm-20 -56.71 -49.8 74.09 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 12.0 p -72.6 -30.77 64.64 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.679 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.566 ' O ' HD23 ' A' ' 30' ' ' LEU . 62.3 m -56.25 -35.63 67.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 17.6 t -84.2 -44.83 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 173.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 4.4 tppp? -63.37 -36.25 83.08 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -173.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.37 -19.91 65.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.182 0.515 . . . . 0.0 110.81 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.658 HD21 HG21 ' A' ' 62' ' ' VAL . 3.7 mm? -69.52 123.34 21.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.127 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.487 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 32.2 t30 -65.43 114.64 4.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.212 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.1 -9.29 8.45 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.17 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.441 HG22 HG22 ' A' ' 49' ' ' ILE . 78.0 t -86.81 133.59 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.941 0.401 . . . . 0.0 111.263 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -89.89 -67.4 0.85 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.016 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -133.79 145.93 50.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 47' ' ' VAL . 20.1 t -127.06 100.29 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.663 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -98.38 94.05 6.53 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.058 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.429 ' CG1' HG13 ' A' ' 20' ' ' VAL . 3.3 p -80.95 119.94 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.393 0.616 . . . . 0.0 110.391 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CB ' ' HB2' ' A' ' 42' ' ' GLU . 16.2 mm-40 -94.69 96.64 9.53 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.637 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.89 -48.83 80.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.951 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -33.78 61.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.838 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 27.7 mm-40 -81.81 -21.31 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.681 -176.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.18 23.58 68.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.126 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 10' ' ' GLN . 11.0 p -137.52 168.69 19.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.59 HG12 HG23 ' A' ' 47' ' ' VAL . 95.0 t -133.78 127.81 52.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.085 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' HG2' HG23 ' A' ' 8' ' ' THR . 39.5 mt-10 -108.18 114.99 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.904 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 45' ' ' VAL . 48.7 t -127.7 132.52 68.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.755 -173.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.4 m -95.21 112.66 24.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.441 HG22 HG22 ' A' ' 33' ' ' VAL . 30.5 pt -115.62 157.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.901 0.382 . . . . 0.0 110.923 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 45.2 t0 -93.66 96.56 9.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 169.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 15.8 t -73.64 -4.96 37.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.815 -174.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.0 t -83.56 -8.31 59.35 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.69 -69.53 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.224 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 14.0 p -95.16 144.42 9.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.849 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -101.06 161.18 13.78 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.104 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.731 HD13 HE22 ' A' ' 71' ' ' GLN . 3.6 pp -61.66 -30.78 70.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.0 tmtt? -67.39 -42.88 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.239 -178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -53.14 -51.96 60.28 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.636 0.731 . . . . 0.0 109.653 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.437 ' O ' HG13 ' A' ' 63' ' ' ILE . 72.8 mt -63.14 -52.64 56.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.371 -177.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.31 -40.37 77.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.819 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.85 -47.23 80.87 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 30' ' ' LEU . 95.1 t -67.23 -44.15 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.414 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.588 HD11 HG22 ' A' ' 27' ' ' VAL . 82.7 mt -60.01 -48.79 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.026 0.441 . . . . 0.0 111.414 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.62 -24.74 62.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.877 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.38 -20.1 64.67 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.161 0.505 . . . . 0.0 110.472 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -79.09 -21.21 47.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.897 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.44 35.63 1.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.586 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -127.17 156.05 42.42 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . 11.9 m-20 -115.23 102.49 9.93 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 11' ' ' VAL . 34.7 m -122.5 165.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.64 -171.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.731 HE22 HD13 ' A' ' 56' ' ' LEU . 46.9 tt0 . . . . . 0 C--O 1.25 1.083 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.572 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 120.929 0.395 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -111.68 -62.09 1.61 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.843 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.14 99.94 3.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.743 0.306 . . . . 0.0 110.952 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.64 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 51.8 mtt -87.83 121.71 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.147 0.499 . . . . 0.0 111.634 -178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -106.0 127.16 52.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.902 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -101.08 100.03 10.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.4 mt -111.32 140.88 45.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -105.31 111.02 23.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.52 126.34 45.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.446 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.5 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -82.37 123.65 29.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.113 0.483 . . . . 0.0 109.993 176.1 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.494 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 p -122.82 131.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.771 -172.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -120.2 147.04 45.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.259 173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.7 -14.99 9.78 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.514 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.539 ' HB2' ' CB ' ' A' ' 19' ' ' CYS . 25.0 ptt? -106.82 142.53 36.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.9 m -143.28 3.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.3 p -141.51 169.8 16.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 111.581 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.72 -25.76 73.96 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.541 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -56.84 -43.56 81.24 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.539 ' CB ' ' HB2' ' A' ' 14' ' ' MET . 61.0 m -66.52 -46.65 75.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.381 176.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 HG13 ' A' ' 38' ' ' VAL . 96.5 t -48.47 -53.3 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 O-C-N 123.533 0.521 . . . . 0.0 111.015 177.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.68 -50.44 73.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.063 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -58.67 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.843 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.0 tt -64.26 -34.97 72.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.972 -175.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -56.41 -52.64 63.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.313 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 50.2 m -72.53 -34.47 67.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.503 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -52.93 -40.17 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.534 HG11 HG21 ' A' ' 47' ' ' VAL . 32.2 t -82.86 -41.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.227 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -71.6 -33.21 68.81 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -171.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 25' ' ' SER . 62.2 mt-10 -62.91 -31.04 72.02 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.196 0.522 . . . . 0.0 110.331 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 62' ' ' VAL . 42.8 mt -55.51 138.01 47.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.651 -176.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -74.22 120.71 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.504 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.6 -1.55 24.79 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 49' ' ' ILE . 78.0 t -101.46 125.21 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-O 121.482 0.658 . . . . 0.0 110.15 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -86.74 -64.25 1.18 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.737 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 11.0 pt20 -138.83 144.89 39.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.916 0.389 . . . . 0.0 111.098 -175.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.748 HG22 HG13 ' A' ' 47' ' ' VAL . 65.0 t -133.84 119.89 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.991 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -125.89 96.15 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.834 0.826 . . . . 0.0 110.074 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.795 HG23 HG22 ' A' ' 45' ' ' VAL . 3.6 p -84.3 139.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.246 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.3 112.78 22.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.92 0.39 . . . . 0.0 110.663 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.9 tm? -71.54 -34.74 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.625 -176.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.98 87.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.663 -176.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.32 -25.23 17.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.72 0.295 . . . . 0.0 111.66 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.0 40.35 30.39 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.104 -1.046 . . . . 0.0 110.941 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' GLN . 14.3 p -134.58 146.86 50.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.971 0.415 . . . . 0.0 110.883 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.795 HG22 HG23 ' A' ' 38' ' ' VAL . 21.3 t -119.41 110.41 29.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.726 178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -97.11 115.27 27.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.748 HG13 HG22 ' A' ' 36' ' ' VAL . 39.1 t -120.21 143.24 32.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.021 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.43 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 33.6 m -112.07 107.29 16.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.908 174.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.648 HG22 HG22 ' A' ' 33' ' ' VAL . 34.2 pt -115.84 163.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.036 -176.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -95.86 109.51 21.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 170.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.7 p -74.9 -0.48 18.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.66 -173.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 t -89.92 -11.37 41.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.167 0.508 . . . . 0.0 109.98 175.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.62 -68.65 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.609 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -100.13 144.13 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.0 p -109.09 173.73 6.19 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.108 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 56' ' ' LEU . 7.0 mp -66.55 -36.17 82.01 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.644 -176.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -58.3 -42.42 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.195 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.49 -42.08 95.58 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.006 0.432 . . . . 0.0 110.118 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.471 HD12 HG13 ' A' ' 27' ' ' VAL . 48.1 mm -66.87 -46.48 85.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.697 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.35 -47.57 92.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.26 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.388 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 30' ' ' LEU . 15.0 p -65.28 -42.58 94.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.586 0.232 . . . . 0.0 111.323 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.1 mt -61.97 -49.77 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.375 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 70' ' ' VAL . 22.5 mt-10 -72.89 -25.83 61.22 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.842 -177.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.87 -32.02 73.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 16.1 mm100 -71.05 -11.94 61.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.61 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.36 9.41 21.78 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.907 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 61.3 m-85 -96.07 156.35 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 117.01 0.405 . . . . 0.0 111.371 -177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.64 112.28 24.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.849 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 11' ' ' VAL . 14.2 m -125.54 164.54 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.576 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.906 -177.238 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 111.212 0.078 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 53.12 -92.85 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.046 0.538 . . . . 0.0 112.018 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -133.87 106.76 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.3 ptp -97.84 143.92 27.96 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.138 0.495 . . . . 0.0 111.669 -173.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.99 125.1 50.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.389 172.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 48' ' ' THR . 75.0 mt-30 -105.62 100.4 9.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.07 142.33 49.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 44' ' ' THR . 29.1 m -105.8 104.7 14.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.682 175.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.78 140.05 39.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.61 -175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 42.9 mt-30 -83.68 127.52 33.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG21 HG23 ' A' ' 45' ' ' VAL . 38.8 t -119.28 114.55 44.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.894 0.378 . . . . 0.0 111.672 -173.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 69' ' ' ASP . 54.9 mt-10 -111.41 134.88 52.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.29 173.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.58 20.28 3.93 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.274 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 64.3 mtt -77.2 157.95 30.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.631 0.253 . . . . 0.0 110.446 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 t -124.86 -73.21 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.389 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -140.02 -163.35 1.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.99 -29.94 69.01 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.628 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -62.87 -40.0 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.582 ' HB2' ' OH ' ' A' ' 68' ' ' TYR . 21.4 p -66.76 -23.42 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.411 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.91 -55.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -71.16 -28.69 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.488 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.07 61.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.6 tt -69.24 -33.82 59.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.387 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.45 -52.4 59.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 6.3 p -72.47 -32.48 66.25 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.463 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 30' ' ' LEU . 66.6 m -55.44 -34.99 64.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.76 0.314 . . . . 0.0 110.38 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.566 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 27.3 t -83.64 -43.01 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -65.02 -40.11 94.38 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -175.314 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.8 -24.87 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.195 0.522 . . . . 0.0 110.663 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 2.2 mm? -64.39 130.01 42.13 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.067 177.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -71.58 132.0 44.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 104.04 -2.21 44.35 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.964 -179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.442 HG11 HG12 ' A' ' 27' ' ' VAL . 80.5 t -95.47 124.71 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 CA-C-O 121.294 0.569 . . . . 0.0 110.671 -178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.584 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 6.8 tp10 -91.16 -63.39 1.27 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.462 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.584 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 86.1 mt-30 -122.35 142.23 50.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.77 0.319 . . . . 0.0 111.463 -177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -133.77 103.41 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.709 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 46' ' ' GLU . 37.1 ttpt -110.19 96.12 6.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.424 HG13 HG22 ' A' ' 45' ' ' VAL . 59.8 t -77.06 117.16 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.997 0.427 . . . . 0.0 110.01 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -100.18 95.15 6.62 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 40' ' ' LEU . 3.1 tm? -69.02 -32.54 72.15 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.882 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.99 -15.32 63.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.831 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -118.3 -30.53 5.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.745 0.307 . . . . 0.0 111.159 -178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.97 39.58 8.52 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -171.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.517 ' HB ' HG22 ' A' ' 8' ' ' THR . 69.5 p -138.61 166.14 25.09 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.745 HG23 HG21 ' A' ' 11' ' ' VAL . 72.3 t -134.28 116.79 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.856 0.36 . . . . 0.0 110.222 174.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 37' ' ' LYS . 33.3 tt0 -86.28 112.78 21.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.628 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG12 HG23 ' A' ' 49' ' ' ILE . 42.1 t -120.71 130.22 74.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 111.364 -176.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 6' ' ' GLN . 33.0 m -109.33 120.98 44.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.536 HG23 HG12 ' A' ' 47' ' ' VAL . 42.8 pt -124.91 163.0 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -174.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -91.84 100.16 12.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 166.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -77.43 9.57 3.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.972 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 t -98.19 -3.81 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.21 -64.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.895 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.06 148.94 6.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.934 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -99.62 159.88 14.71 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -65.16 -34.91 79.5 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 3.2 tmtp? -61.19 -40.27 93.28 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.815 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -53.52 -51.69 62.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.472 0.653 . . . . 0.0 110.353 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.424 ' O ' HG13 ' A' ' 63' ' ' ILE . 68.2 mt -65.79 -43.98 93.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.922 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.477 HG13 HG23 ' A' ' 70' ' ' VAL . 79.6 t -55.72 -47.29 79.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.691 0.282 . . . . 0.0 110.565 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -47.17 78.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.081 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 30' ' ' LEU . 86.6 t -65.12 -44.17 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.4 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.699 HG21 HG11 ' A' ' 70' ' ' VAL . 70.6 mt -62.77 -47.47 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.734 -177.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 70' ' ' VAL . 41.7 mt-10 -64.41 -30.88 71.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.717 0.294 . . . . 0.0 110.59 -177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.13 -18.22 64.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -82.5 -2.5 53.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.36 176.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.32 44.27 3.03 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.832 177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' OH ' ' HB2' ' A' ' 19' ' ' CYS . 66.0 m-85 -132.18 149.66 52.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.08 0.467 . . . . 0.0 111.362 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 20.0 m-20 -100.3 101.78 12.87 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 170.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.699 HG11 HG21 ' A' ' 63' ' ' ILE . 31.4 m -116.09 144.17 24.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.935 -176.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.328 -0.844 . . . . 0.0 109.732 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.941 0.4 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -132.48 145.96 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.113 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.12 104.1 2.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.687 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 10.4 ptp -90.71 144.0 26.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.562 0.696 . . . . 0.0 112.399 -172.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -123.98 136.67 54.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.618 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.439 ' HG2' HG23 ' A' ' 48' ' ' THR . 33.4 mt-30 -108.17 117.3 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.886 0.374 . . . . 0.0 110.103 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 tp -133.73 142.52 48.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.829 -174.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -100.1 107.49 19.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.783 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.54 142.17 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.829 HE22 ' HG2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -96.4 144.8 26.21 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 175.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -122.63 108.68 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.433 -172.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.829 ' HG2' HE22 ' A' ' 10' ' ' GLN . 12.3 mm-40 -96.67 115.22 27.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.044 0.449 . . . . 0.0 111.148 176.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 114.09 39.45 1.05 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.939 176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.411 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 14.4 mmt -56.48 116.47 3.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.274 0.559 . . . . 0.0 111.411 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 19' ' ' CYS . 4.9 m -90.73 67.43 6.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.923 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m 55.63 -117.49 1.14 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.988 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.26 -2.25 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -73.24 -47.17 45.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.397 0.618 . . . . 0.0 110.18 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.555 ' O ' HG22 ' A' ' 23' ' ' ILE . 6.9 p -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.748 -176.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.4 t -51.49 -63.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.229 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -72.17 -33.82 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.779 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.91 -52.35 65.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.66 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 19' ' ' CYS . 18.3 tt -77.12 -34.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -56.64 -45.18 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.5 m -73.1 -42.14 63.3 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.518 ' O ' HD23 ' A' ' 30' ' ' LEU . 32.8 p -59.48 -29.25 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.525 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.554 HG12 HG11 ' A' ' 33' ' ' VAL . 60.7 t -82.34 -49.9 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.67 172.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.769 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.51 -40.13 96.24 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.32 -26.95 67.55 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.317 0.579 . . . . 0.0 110.74 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -61.85 129.86 42.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.348 178.357 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.551 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 43.4 t30 -65.83 129.58 40.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.966 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.51 -13.06 43.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.409 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG22 HG22 ' A' ' 49' ' ' ILE . 70.9 t -81.24 118.72 29.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.347 0.594 . . . . 0.0 110.779 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -80.73 -51.16 8.98 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.483 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.556 ' HG2' ' HB ' ' A' ' 48' ' ' THR . 28.1 pt20 -150.24 153.46 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.661 0.267 . . . . 0.0 110.649 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG11 ' HB2' ' A' ' 28' ' ' LYS . 5.0 p -146.15 128.18 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.657 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -128.86 108.18 10.23 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 45' ' ' VAL . 7.4 p -84.4 131.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.242 0.544 . . . . 0.0 111.303 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -108.79 116.12 31.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.512 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -80.75 -38.6 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.26 -50.07 61.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.146 -177.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.02 -29.01 55.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.816 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.06 33.98 22.28 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.759 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 10' ' ' GLN . 16.9 p -132.95 162.9 30.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.549 0.214 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 38' ' ' VAL . 44.1 t -132.27 124.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.596 0.236 . . . . 0.0 110.684 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.33 114.11 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG12 HG23 ' A' ' 49' ' ' ILE . 44.4 t -124.21 140.93 46.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.139 0.495 . . . . 0.0 111.406 -175.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.556 ' HB ' ' HG2' ' A' ' 35' ' ' GLN . 31.4 m -122.14 121.0 35.89 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 171.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' MET . 11.1 pt -126.73 156.79 37.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.945 0.402 . . . . 0.0 111.871 -175.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.54 103.19 14.83 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.4 p -73.18 -4.72 34.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.282 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -90.12 1.98 55.79 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.0 t -127.4 -64.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.422 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 12.4 p -110.05 152.29 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.09 -178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -102.63 164.59 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.6 mm? -68.01 -39.38 83.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -36.89 85.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.357 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 62' ' ' VAL . 10.6 m-20 -60.46 -42.37 96.07 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.556 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 49' ' ' ILE . 68.4 mt -66.96 -47.15 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.307 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 91.6 t -55.73 -45.01 79.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.68 -45.7 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.127 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 30' ' ' LEU . 84.9 t -63.95 -41.41 92.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.953 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 59' ' ' ILE . 80.3 mt -62.34 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.391 . . . . 0.0 110.735 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.9 mt-10 -65.95 -30.4 70.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.598 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.87 -21.94 66.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.274 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.625 ' HB2' ' HD2' ' A' ' 68' ' ' TYR . 35.7 mt-30 -81.59 -6.75 59.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.36 30.52 6.55 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.322 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.625 ' HD2' ' HB2' ' A' ' 66' ' ' GLN . 97.3 m-85 -118.13 154.61 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 27.6 t70 -111.03 117.67 33.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.76 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.59 121.25 35.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 . . . . . 0 C--O 1.252 1.184 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.789 179.069 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.426 ' HA ' ' HE1' ' A' ' 4' ' ' MET . 45.9 m . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.779 0.323 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -81.9 -63.74 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.182 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -111.43 107.84 17.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.866 0.365 . . . . 0.0 110.441 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.666 ' HE2' ' HA ' ' A' ' 4' ' ' MET . 16.9 mmt -86.21 104.86 16.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.409 -174.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 9.9 mm-40 -101.54 107.24 18.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.951 177.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -94.09 112.52 24.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.04 0.448 . . . . 0.0 110.112 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -123.87 140.18 53.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.494 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -99.93 104.51 16.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.869 175.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.811 ' HB2' HG23 ' A' ' 45' ' ' VAL . 4.6 mp -91.32 168.08 11.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -117.76 145.67 44.32 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 45' ' ' VAL . 10.9 t -106.06 109.74 28.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.653 -175.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -97.54 108.47 21.19 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.24 -98.96 0.27 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 mtt 61.15 -176.05 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.507 0.67 . . . . 0.0 112.536 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 t -151.01 -73.84 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.685 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.3 t -152.66 -74.36 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.553 0.216 . . . . 0.0 111.269 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.15 -45.47 0.21 Allowed Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.19 -176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -54.49 -36.47 64.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.004 0.43 . . . . 0.0 111.167 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' ILE . 21.5 p -60.68 -28.55 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.252 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 HG13 ' A' ' 38' ' ' VAL . 93.1 t -63.13 -53.21 49.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -65.95 -37.97 87.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.233 178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -56.3 23.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.585 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG21 HG21 ' A' ' 38' ' ' VAL . 6.9 tp -65.78 -35.29 74.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.717 0.294 . . . . 0.0 110.737 -178.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -53.78 -55.69 24.23 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 16.4 p -71.1 -29.88 65.83 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.963 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 63' ' ' ILE . 41.5 t -53.56 -38.13 63.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG11 HG11 ' A' ' 47' ' ' VAL . 22.9 t -85.28 -47.55 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 172.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.628 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 51.2 tptt -61.94 -30.7 71.09 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -172.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.12 -19.82 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.23 0.538 . . . . 0.0 110.912 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.633 ' HG ' HG12 ' A' ' 59' ' ' ILE . 4.4 mm? -69.27 127.45 33.12 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.976 178.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.569 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 64.2 t30 -68.48 112.83 5.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.617 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.34 -9.95 7.76 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.147 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.521 HG22 HG22 ' A' ' 49' ' ' ILE . 81.1 t -87.72 127.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.24 0.543 . . . . 0.0 111.487 -178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.44 -66.24 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.763 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -137.93 152.3 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.481 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 47' ' ' VAL . 45.8 t -133.43 118.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.947 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -118.88 99.2 6.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.752 0.31 . . . . 0.0 110.299 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 23' ' ' ILE . 3.5 p -84.36 119.33 33.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.577 0.703 . . . . 0.0 110.006 175.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.567 ' HB3' ' HB2' ' A' ' 42' ' ' GLU . 1.7 mm-40 -88.61 108.15 19.29 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.491 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 40' ' ' LEU . 2.1 tm? -76.07 -28.83 57.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.118 0.485 . . . . 0.0 109.88 -177.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.27 -35.33 55.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.927 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 39' ' ' GLN . 43.0 mt-10 -89.57 -32.98 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.444 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.62 33.26 13.59 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.567 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.4 p -133.69 177.98 7.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.885 0.374 . . . . 0.0 111.564 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.811 HG23 ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -139.53 107.62 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.917 -178.677 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -90.86 108.56 19.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.623 HG11 HG11 ' A' ' 27' ' ' VAL . 45.1 t -124.62 140.53 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.625 -173.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.0 m -109.42 115.57 30.19 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.521 HG22 HG22 ' A' ' 33' ' ' VAL . 27.7 pt -115.49 161.56 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.954 0.407 . . . . 0.0 111.178 -178.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 60.3 t0 -101.27 103.82 14.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 29.2 t -78.44 2.4 18.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.9 m -89.84 -1.69 58.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 0.0 109.772 171.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.49 -58.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.826 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.569 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 13.5 p -114.87 146.17 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 p -107.38 164.85 11.84 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 60' ' ' VAL . 55.2 tp -61.37 -40.21 93.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.335 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -62.24 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.229 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.56 -51.99 66.5 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.871 0.844 . . . . 0.0 109.448 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.633 HG12 ' HG ' ' A' ' 30' ' ' LEU . 60.1 mt -62.86 -48.4 88.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.56 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.528 HG13 HG23 ' A' ' 70' ' ' VAL . 72.1 t -55.76 -44.56 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.887 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.23 -40.91 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 61.9 t -73.02 -41.42 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.138 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.563 HD11 HG22 ' A' ' 27' ' ' VAL . 71.0 mt -60.9 -49.43 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.613 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.633 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 37.1 mt-10 -66.43 -26.51 67.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.127 0.489 . . . . 0.0 110.534 -177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.59 -24.69 66.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.332 176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 79.3 mm-40 -84.19 -4.41 58.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.782 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.21 41.91 3.13 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.913 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 64' ' ' GLU . 52.7 m-85 -136.7 139.96 42.33 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -100.61 94.4 6.09 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG23 HG13 ' A' ' 60' ' ' VAL . 35.9 m -111.19 146.17 16.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.915 -172.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.462 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 11.3 mm-40 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.828 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.713 ' HA ' ' HB2' ' A' ' 52' ' ' SER . 1.1 p-10 -147.85 155.59 41.79 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.59 108.62 2.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.868 0.366 . . . . 0.0 110.566 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 81.9 mtp -83.41 134.74 34.87 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.176 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -130.4 147.6 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.312 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.857 ' HA ' HE21 ' A' ' 6' ' ' GLN . 0.0 OUTLIER -99.97 115.59 30.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.059 175.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -123.99 157.35 34.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.99 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' HB ' ' A' ' 44' ' ' THR . 12.3 m -128.01 105.44 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.958 0.409 . . . . 0.0 110.367 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD23 HG11 ' A' ' 70' ' ' VAL . 11.0 mp -82.95 143.62 30.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 69.5 mt-30 -95.51 133.41 39.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.442 ' CG2' HG23 ' A' ' 45' ' ' VAL . 9.0 t -115.9 100.55 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.412 -173.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.977 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 16.7 mm-40 -91.94 120.35 32.52 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 174.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.5 53.78 0.59 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.063 -177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.8 mtt -97.8 -85.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.545 0.212 . . . . 0.0 111.388 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t 67.63 -75.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.65 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.9 m -92.51 152.77 19.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 0.0 111.62 -173.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 20' ' ' VAL . . . -71.82 -21.58 78.92 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.949 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -64.8 -32.65 74.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.811 0.305 . . . . 0.0 110.253 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.41 ' O ' HG22 ' A' ' 23' ' ' ILE . 46.9 m -61.42 -41.91 97.9 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.102 0.477 . . . . 0.0 109.805 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 17' ' ' GLY . 91.4 t -54.37 -51.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.416 176.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -63.37 -41.27 98.8 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.08 -178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.63 -56.69 18.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 19' ' ' CYS . 13.7 tt -64.23 -34.5 69.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 121.212 -0.195 . . . . 0.0 110.916 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB2' HG11 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -54.88 -53.73 51.63 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.917 0.389 . . . . 0.0 110.262 176.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.549 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 50.8 m -72.45 -30.65 64.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.205 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -56.6 -31.3 64.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.718 -0.393 . . . . 0.0 109.962 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.436 HG12 HG11 ' A' ' 33' ' ' VAL . 26.3 t -82.93 -53.32 11.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 171.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 21.2 ttmm -58.35 -39.95 80.9 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -173.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.3 -17.42 64.77 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 111.405 -176.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 59' ' ' ILE . 32.2 mt -74.76 165.08 25.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.643 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.462 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 27.9 t-20 -95.68 137.99 33.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.257 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.16 8.96 58.52 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.514 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG11 HG12 ' A' ' 27' ' ' VAL . 73.3 t -106.09 127.81 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 CA-C-O 121.246 0.545 . . . . 0.0 109.772 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.826 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 8.4 tp10 -96.41 -58.28 2.1 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.059 -177.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.826 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 97.2 mt-30 -138.63 154.85 48.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.453 -178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 p -147.22 107.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.328 0.585 . . . . 0.0 110.755 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -108.22 94.94 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.43 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG23 HG22 ' A' ' 45' ' ' VAL . 2.1 p -86.34 127.14 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.693 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -115.77 114.26 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.413 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -46.99 77.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.107 0.48 . . . . 0.0 110.304 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.37 -32.28 73.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.797 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -79.38 -32.14 42.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.222 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.36 66.14 Favored Glycine 0 CA--C 1.506 -0.503 0 C-N-CA 120.153 -1.022 . . . . 0.0 110.98 -172.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.442 ' HB ' HG22 ' A' ' 8' ' ' THR . 40.3 p -141.99 166.51 24.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.143 0.497 . . . . 0.0 111.355 -176.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 38' ' ' VAL . 40.8 t -129.45 118.64 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.928 175.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -85.26 105.13 15.72 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG12 HG23 ' A' ' 49' ' ' ILE . 17.3 t -109.7 139.85 31.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.35 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.7 m -109.87 103.24 12.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.091 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.507 HG23 HG12 ' A' ' 47' ' ' VAL . 42.8 pt -115.08 168.77 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -177.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 2' ' ' ASN . 8.3 t70 -108.57 106.44 16.52 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.7 p -76.49 -4.04 40.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -170.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.713 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . 63.4 m -90.66 2.87 55.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.349 0.595 . . . . 0.0 109.955 173.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.7 t -125.41 -65.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.519 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 10.4 p -109.32 141.19 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.5 p -100.15 161.17 13.78 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.556 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.35 -32.58 70.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.399 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 2.8 tmtp? -64.22 -43.53 94.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.783 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.98 -44.95 96.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.948 0.404 . . . . 0.0 110.069 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.516 ' O ' HD13 ' A' ' 63' ' ' ILE . 43.9 mm -57.89 -56.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.081 176.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.571 HG13 ' HG3' ' A' ' 64' ' ' GLU . 4.4 t -55.98 -42.05 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.552 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.38 75.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.711 0.291 . . . . 0.0 111.29 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.8 t -77.47 -50.49 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.232 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 59' ' ' ILE . 1.4 mp -61.01 -46.18 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.987 -175.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.571 ' HG3' HG13 ' A' ' 60' ' ' VAL . 14.7 mt-10 -69.67 -28.83 66.2 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.382 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.69 -27.9 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.246 0.545 . . . . 0.0 110.448 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -76.37 2.59 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.147 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 31.31 8.15 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.557 177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -119.96 145.85 46.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.719 0.295 . . . . 0.0 110.22 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.977 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 33.7 t70 -98.31 109.07 21.89 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 63' ' ' ILE . 26.3 t -127.57 98.56 4.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.708 -174.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.066 177.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.647 ' HA ' ' HB2' ' A' ' 52' ' ' SER . 18.4 m120 71.3 132.71 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.877 0.736 . . . . 0.0 111.213 -177.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' ASP . . . -147.43 120.47 8.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.919 -177.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.3 mmt -82.39 117.04 22.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -112.97 127.55 56.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.134 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 38.3 mt-30 -111.72 131.95 54.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.46 138.42 36.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -107.99 104.73 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 173.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -100.71 144.76 29.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -177.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.606 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 91.8 mt-30 -85.49 132.8 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.844 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.672 HG21 HG23 ' A' ' 45' ' ' VAL . 25.3 t -118.73 122.65 69.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 112.129 -172.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.92 138.7 52.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.76 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.41 -5.78 5.94 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.951 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.516 ' SD ' HD22 ' A' ' 40' ' ' LEU . 64.4 mtt -63.94 107.92 1.36 Allowed 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 110.088 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.9 m -107.54 -35.26 6.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.15 -177.47 5.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.439 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.562 ' O ' HG12 ' A' ' 20' ' ' VAL . . . -64.23 -36.11 92.81 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.745 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -63.11 -20.73 65.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.848 0.324 . . . . 0.0 111.79 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.478 ' O ' HG22 ' A' ' 23' ' ' ILE . 78.7 m -60.97 -35.88 77.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.856 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.616 ' HB ' HD23 ' A' ' 40' ' ' LEU . 3.4 p -65.6 -42.82 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.057 0.456 . . . . 0.0 109.954 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -70.02 -43.13 71.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.175 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.96 67.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.438 -178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 19' ' ' CYS . 12.2 tt -68.34 -34.78 67.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.731 -177.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.27 -48.94 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.2 m -71.47 -31.41 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.119 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.2 m -53.81 -37.11 63.21 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.619 HG22 HD11 ' A' ' 63' ' ' ILE . 18.9 t -83.53 -55.66 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.931 173.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.27 -30.75 71.34 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -169.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.08 -14.77 61.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.991 0.424 . . . . 0.0 111.258 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.565 HD12 HD13 ' A' ' 59' ' ' ILE . 26.3 mt -79.11 137.16 37.37 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.758 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -73.11 121.42 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.375 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.98 7.38 17.34 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.777 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 49' ' ' ILE . 76.2 t -103.87 114.58 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 121.577 0.703 . . . . 0.0 109.465 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.506 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 9.7 tp10 -82.44 -56.27 3.99 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.343 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.506 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 49.1 mt-30 -139.17 157.02 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.932 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG23 HG22 ' A' ' 47' ' ' VAL . 3.3 p -164.3 117.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.196 0.522 . . . . 0.0 110.815 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -118.93 112.93 20.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.3 0.571 . . . . 0.0 110.538 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 20' ' ' VAL . 2.1 p -90.05 125.05 42.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.518 176.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.54 99.06 10.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.956 -177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.616 HD23 ' HB ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -63.87 -43.77 95.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 109.85 -178.451 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.59 72.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.025 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -91.15 -33.14 15.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.084 0.468 . . . . 0.0 111.132 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.447 ' HA2' ' HE3' ' A' ' 14' ' ' MET . . . 84.67 26.67 37.72 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.567 -175.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 10' ' ' GLN . 9.4 p -136.26 163.33 30.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.655 0.264 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.672 HG23 HG21 ' A' ' 11' ' ' VAL . 48.2 t -134.19 126.98 50.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.296 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -101.63 115.64 30.97 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.676 HG22 HG23 ' A' ' 36' ' ' VAL . 21.8 t -116.44 142.04 31.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.419 -174.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 m -114.57 104.83 12.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.546 HG23 HG12 ' A' ' 47' ' ' VAL . 42.1 pt -115.45 166.52 9.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.062 0.458 . . . . 0.0 111.085 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' ALA . 12.1 t0 -103.63 103.07 12.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 p -72.34 -8.9 57.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.921 0.391 . . . . 0.0 111.449 -172.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.647 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . 50.8 m -87.6 -8.68 55.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.462 0.648 . . . . 0.0 109.91 175.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.0 t -112.47 -64.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.236 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -102.97 148.68 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.5 p -92.45 158.95 15.77 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.201 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.45 -34.97 77.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.039 0.447 . . . . 0.0 109.933 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -64.06 -38.98 93.06 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.658 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -55.13 -49.67 71.19 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.066 0.46 . . . . 0.0 109.94 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.565 HD13 HD12 ' A' ' 30' ' ' LEU . 43.9 mm -55.93 -56.34 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.46 -47.67 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.453 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.32 -50.12 74.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.654 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' A' ' 66' ' ' GLN . 93.4 t -65.1 -43.71 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.239 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.619 HD11 HG22 ' A' ' 27' ' ' VAL . 78.5 mt -59.08 -51.06 77.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 111.09 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.15 -25.12 60.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.83 -28.56 69.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.005 0.431 . . . . 0.0 110.316 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 62' ' ' VAL . 12.6 mm100 -75.29 -15.18 60.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 178.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.08 30.58 3.37 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.711 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -113.97 159.49 19.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.282 . . . . 0.0 110.515 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -116.73 109.97 17.84 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 172.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 16.0 m -125.54 127.77 71.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.431 0.634 . . . . 0.0 111.861 -175.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.715 179.32 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.551 0.215 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -136.48 161.64 35.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.23 112.43 4.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.289 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 81.7 mmm -85.34 117.67 24.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.002 0.43 . . . . 0.0 111.098 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' HB2' ' A' ' 51' ' ' SER . 8.3 mm-40 -112.22 108.15 17.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 175.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -100.61 103.48 14.77 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.5 mt -124.5 156.31 37.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.5 -174.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -110.13 124.52 51.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.188 176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.03 144.48 44.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.376 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HA ' HG22 ' A' ' 44' ' ' THR . 28.3 pt20 -85.45 141.02 30.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.339 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.626 HG21 HG23 ' A' ' 45' ' ' VAL . 14.5 t -127.31 115.54 40.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.727 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.741 ' HB2' ' HB3' ' A' ' 69' ' ' ASP . 80.8 mm-40 -104.97 135.86 45.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 176.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.88 -24.87 8.18 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.414 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.558 ' HB2' ' HB3' ' A' ' 19' ' ' CYS . 25.4 ptt? -92.23 138.15 31.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 117.487 0.644 . . . . 0.0 111.294 -177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 p -147.66 -1.04 0.62 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.615 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -124.04 169.83 11.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.828 0.347 . . . . 0.0 111.66 -175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.94 -40.4 93.46 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.647 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -58.51 -32.59 68.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.636 0.255 . . . . 0.0 110.942 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 14' ' ' MET . 57.1 m -59.09 -46.92 87.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' A' ' 38' ' ' VAL . 51.3 t -54.93 -54.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.072 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -61.46 -37.38 83.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.95 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.591 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.608 HG23 HG21 ' A' ' 38' ' ' VAL . 10.3 tt -77.95 -34.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.224 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.96 -50.38 70.95 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.892 0.377 . . . . 0.0 110.102 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 19.3 p -72.7 -30.11 63.95 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.107 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.1 t -53.83 -34.2 58.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.67 HG12 HG11 ' A' ' 33' ' ' VAL . 20.4 t -83.27 -51.14 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.934 173.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 25' ' ' SER . 18.5 tppt? -64.22 -30.81 71.85 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -58.89 -29.94 67.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.818 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.612 HD12 HD13 ' A' ' 59' ' ' ILE . 44.2 mt -77.16 151.83 35.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.044 -178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' O ' ' HB ' ' A' ' 54' ' ' VAL . 4.9 m120 -87.22 127.73 35.16 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.63 12.05 23.67 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.67 HG11 HG12 ' A' ' 27' ' ' VAL . 54.9 t -106.42 114.95 46.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.26 0.552 . . . . 0.0 111.309 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.776 ' HG3' ' HG3' ' A' ' 35' ' ' GLN . 10.9 tp10 -87.92 -65.65 0.99 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.627 -178.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.776 ' HG3' ' HG3' ' A' ' 34' ' ' GLU . 81.4 mt-30 -122.17 141.86 51.01 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.054 -176.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.46 102.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.543 0.687 . . . . 0.0 110.135 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -109.3 100.18 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.66 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 20' ' ' VAL . 57.8 t -82.22 115.49 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.95 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 14.5 mm-40 -95.99 98.42 10.37 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.978 0.418 . . . . 0.0 110.367 177.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.7 -39.67 94.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.798 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.28 71.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.702 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -97.62 -26.9 14.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.682 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.27 21.05 59.38 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.475 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 10' ' ' GLN . 34.3 p -133.8 161.83 33.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.755 0.312 . . . . 0.0 110.46 -178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG23 HG21 ' A' ' 11' ' ' VAL . 57.3 t -131.16 131.8 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.351 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -100.86 118.08 36.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 174.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG12 HG23 ' A' ' 49' ' ' ILE . 61.6 t -122.31 133.42 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.8 m -110.2 111.07 22.16 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.53 HG23 HG12 ' A' ' 47' ' ' VAL . 26.3 pt -114.59 168.34 6.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.202 0.525 . . . . 0.0 111.288 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -101.59 101.64 12.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.356 168.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.411 ' HB2' ' HG3' ' A' ' 5' ' ' GLU . 44.6 t -75.94 0.13 19.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.139 -174.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.6 m -84.98 -9.22 58.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.341 0.591 . . . . 0.0 109.736 174.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.1 t -120.9 -67.72 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.504 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' A' ' 31' ' ' ASN . 8.7 p -100.2 150.05 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.326 -177.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -98.11 165.14 12.03 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.4 tp -69.22 -32.93 72.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.856 0.36 . . . . 0.0 110.153 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -63.31 -40.22 96.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -54.78 -49.87 69.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.067 0.46 . . . . 0.0 110.114 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.624 HD12 HG13 ' A' ' 27' ' ' VAL . 44.1 mm -54.46 -57.46 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.746 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.71 -45.33 94.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.369 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.11 80.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.514 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.02 -37.92 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.819 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 59' ' ' ILE . 68.6 mt -60.79 -47.46 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -66.9 -28.32 68.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.714 0.292 . . . . 0.0 110.769 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.52 -23.78 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.244 0.545 . . . . 0.0 110.651 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -78.62 -14.49 59.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.212 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.47 37.42 1.93 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.109 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -125.63 154.31 42.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.622 0.248 . . . . 0.0 110.405 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' A' ' 12' ' ' GLU . 32.7 t70 -106.86 109.16 20.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.8 t -128.75 112.22 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.158 0.504 . . . . 0.0 110.406 -177.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.698 -178.906 . . . . . . . . 0 0 . 1 stop_ save_