data_2m4i_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 2m4i _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.044 0.45 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -138.17 139.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.339 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -153.48 138.59 17.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.849 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -135.23 117.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.304 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 39.7 tttp -107.76 111.6 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.153 0.501 . . . . 0.0 111.277 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.04 67.23 0.31 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.555 HG21 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.73 -70.67 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.602 -0.299 . . . . 0.0 111.584 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.555 ' H ' HG21 ' A' ' 17' ' ' THR . 11.0 mtpt -117.77 17.2 14.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.607 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 2.5 m120 -128.42 -166.39 1.62 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.949 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.76 -97.54 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.148 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 tp -161.96 99.95 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 110.396 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.79 106.04 13.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.022 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.7 147.01 49.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.057 0.456 . . . . 0.0 110.969 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -140.52 113.94 8.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.248 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -108.34 128.71 54.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.3 78.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.708 0.29 . . . . 0.0 110.275 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -155.84 135.96 12.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.444 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 143.93 34.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.8 m 58.84 20.42 7.98 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.454 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -116.73 152.92 33.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -77.08 146.86 37.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.003 0.43 . . . . 0.0 111.055 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -116.9 30.76 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.6 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.29 -28.4 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -85.47 -3.8 58.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.1 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 5.9 tp -103.87 -50.84 3.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.5 70.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.73 -53.82 40.42 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.426 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.4 -35.94 81.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.474 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -51.26 60.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.694 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.44 -42.26 62.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.13 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ttt -56.37 -48.5 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.936 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.53 -41.58 79.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 m -60.55 -37.87 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.4 mt -79.14 -35.83 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.013 0.435 . . . . 0.0 110.25 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -65.63 -67.56 0.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.538 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HG2' ' H ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -165.61 119.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.669 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -117.75 18.89 14.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.92 0.867 . . . . 0.0 108.703 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.435 ' H ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -80.91 98.7 8.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.183 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.22 -52.08 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.86 -31.95 6.7 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -44.78 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.435 0.636 . . . . 0.0 110.266 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 86.53 0.07 OUTLIER Glycine 0 C--N 1.312 -0.784 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.256 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.43 113.13 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.26 0.552 . . . . 0.0 111.649 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -89.93 97.13 11.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.793 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 6.8 mt -102.97 70.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.435 0.636 . . . . 0.0 109.604 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.8 m -106.58 102.21 11.61 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.77 94.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -102.05 92.4 4.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.159 0.505 . . . . 0.0 110.637 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.37 83.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.53 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -83.13 68.73 9.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.41 0.624 . . . . 0.0 109.901 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.02 -68.7 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.803 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.84 -121.1 3.85 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -85.69 22.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.33 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.1 t80 56.02 73.87 0.41 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.342 0.592 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.414 HD12 ' H ' ' A' ' 67' ' ' TYR . 46.4 tp -80.09 151.82 29.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.982 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.414 ' H ' HD12 ' A' ' 66' ' ' LEU . 19.6 m-85 -78.35 81.22 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.5 -27.59 68.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.858 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -73.52 -36.89 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.997 0.427 . . . . 0.0 110.54 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.701 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.7 mm-40 -86.01 -31.75 21.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.383 0.611 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 40.9 tt0 -62.96 -41.07 99.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.191 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.452 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -79.57 -29.61 41.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.21 -31.86 72.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 6.1 mm-40 -54.08 -32.96 56.31 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.387 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.69 -34.85 79.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.148 0.499 . . . . 0.0 110.652 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -88.49 -27.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -60.84 -27.12 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.996 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -71.23 -13.08 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -143.12 39.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.36 0.6 . . . . 0.0 109.97 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 48.4 pttt -75.48 62.12 1.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.373 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.89 -11.94 37.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.759 0.79 . . . . 0.0 109.25 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.6 175.17 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.74 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -84.94 73.65 10.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.903 0.382 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.6 p -100.78 130.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.686 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -156.02 105.45 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -109.35 133.54 52.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.5 tt -157.77 135.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.455 . . . . 0.0 110.874 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -110.51 -153.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.893 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 CA--C 1.532 0.278 0 O-C-N 122.107 -0.371 . . . . 0.0 111.429 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.7 p90 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.834 0.349 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.09 136.71 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.064 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -155.67 143.46 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.905 0.383 . . . . 0.0 110.272 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.79 117.06 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.88 105.8 15.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.966 0.412 . . . . 0.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.18 89.27 0.15 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -124.6 -82.69 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.996 0.427 . . . . 0.0 111.182 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -111.26 25.83 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.0 109.684 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -130.53 -165.05 1.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.575 -1.193 . . . . 0.0 108.543 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.56 -87.58 0.39 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.381 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.9 tp -170.58 110.74 0.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.827 0.346 . . . . 0.0 110.617 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 90.36 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.78 144.84 34.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.02 0.438 . . . . 0.0 111.08 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -149.61 111.83 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.83 125.08 51.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.12 81.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.633 0.254 . . . . 0.0 111.335 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 31.3 t0 -154.52 145.58 22.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -107.5 144.63 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.6 m 68.09 -2.7 1.42 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 66.7 m -87.36 158.65 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.607 0.242 . . . . 0.0 110.575 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -85.82 139.85 30.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.952 0.406 . . . . 0.0 110.487 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -100.05 24.06 9.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.757 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -57.33 -37.23 72.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.05 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -76.77 -36.67 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.109 0.481 . . . . 0.0 109.815 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.9 tp -66.04 -54.9 20.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.735 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.17 -40.71 86.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.353 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.52 -50.28 61.01 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.02 -35.66 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.66 0.267 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -55.06 39.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -63.73 -37.05 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.87 -52.57 59.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.73 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.18 -36.66 82.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -58.49 -25.2 62.1 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -113.34 8.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.416 0.627 . . . . 0.0 110.288 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.87 -55.74 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.21 106.67 4.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.314 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.8 31.88 2.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.633 0.73 . . . . 0.0 109.437 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.4 121.74 45.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.698 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.452 ' HB3' ' N ' ' A' ' 53' ' ' GLN . 43.0 t0 -139.23 126.39 21.26 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.38 -11.79 76.37 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.325 -0.464 . . . . 0.0 112.785 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HZ1' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -108.55 12.69 25.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 110.092 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.67 99.14 2.02 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.597 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.452 ' N ' ' HB3' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -60.93 114.0 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.132 0.491 . . . . 0.0 111.476 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -90.7 106.81 18.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 20.9 mt -107.51 93.26 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -110.84 108.18 17.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -96.94 93.61 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.736 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -103.2 90.71 3.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.963 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -97.99 80.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.972 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -86.91 66.85 9.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.439 0.637 . . . . 0.0 109.98 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 10.8 mt -88.15 -11.01 48.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.996 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.86 -137.18 28.17 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.775 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -78.21 33.96 0.2 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -77.75 -13.86 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.41 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.8 t80 65.35 80.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.08 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -92.95 127.46 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.282 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -75.59 92.13 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HZ3' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.87 -20.24 49.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.824 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.472 ' CD ' ' HZ3' ' A' ' 68' ' ' LYS . 31.0 mm-40 -59.53 -42.58 92.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.646 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.2 mm100 -64.56 -45.81 85.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 3.6 tt0 -64.06 -45.43 88.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.83 -47.58 84.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.226 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.2 pt20 -58.6 -32.65 69.19 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -84.44 -29.96 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.648 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.2 m -74.15 -28.06 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -49.62 -37.81 29.46 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.73 -29.17 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.621 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.58 -27.54 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.998 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -19.37 64.32 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.39 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.175 0.512 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -153.03 46.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.331 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -78.69 63.77 3.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.264 0.554 . . . . 0.0 112.205 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.22 -16.09 58.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.817 0.818 . . . . 0.0 109.1 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.44 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -75.42 169.79 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.315 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -88.17 71.45 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.471 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.4 p -99.66 129.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.593 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -142.2 102.82 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.172 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -99.81 135.77 40.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.335 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.5 tt -152.49 139.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.118 0.485 . . . . 0.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' HA ' HG21 ' A' ' 59' ' ' VAL . 3.2 p30 -111.2 -169.23 1.42 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.035 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.629 0.252 . . . . 0.0 110.744 179.489 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.711 0.291 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -160.96 131.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.829 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -155.25 139.93 17.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mt -132.06 104.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -94.34 108.92 20.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.22 31.97 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.67 -85.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.255 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -105.34 15.71 26.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.332 0.587 . . . . 0.0 110.181 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.414 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m120 -119.53 178.55 4.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.301 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.24 -80.9 0.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.389 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 60.8 tp -171.52 98.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.226 0.536 . . . . 0.0 110.747 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.86 104.27 11.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.02 139.8 50.67 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.003 0.43 . . . . 0.0 110.515 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -139.56 123.1 17.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.377 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 tp -129.73 135.76 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.817 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -124.91 63.54 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.33 109.65 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.122 0.487 . . . . 0.0 110.18 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.61 146.17 24.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.766 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.5 m 64.79 34.84 9.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.514 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -132.62 166.49 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.842 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -90.7 118.42 30.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -89.82 28.41 1.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.685 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.19 -39.28 63.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.751 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.6 mt -70.66 -31.7 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.39 -46.26 20.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.462 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.36 -41.5 89.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.279 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.62 -50.3 61.17 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.911 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.73 -39.54 84.26 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.9 -55.41 35.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.58 -42.14 95.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.004 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.0 ttt -60.18 -57.94 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.868 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.04 -39.34 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 m -51.63 -39.89 58.9 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mt -97.44 -22.94 4.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.674 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 -63.09 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.88 125.02 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 111.619 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -135.71 24.05 3.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.67 0.748 . . . . 0.0 109.316 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.72 84.49 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.235 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.97 -47.62 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.342 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.09 -32.34 7.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.049 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.15 -45.02 4.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.42 83.17 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.27 115.84 2.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 0.0 112.231 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -96.83 112.48 24.21 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.699 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 17.4 mt -115.18 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.562 0.696 . . . . 0.0 109.608 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -101.7 98.75 8.99 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.063 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -85.84 95.19 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.506 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.409 ' CD2' HG22 ' A' ' 89' ' ' ILE . 28.8 m170 -104.07 96.37 6.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -104.22 98.98 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 68.84 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD13 HH11 ' A' ' 64' ' ' ARG . 8.7 mt -83.25 -14.06 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.532 -178.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.79 -135.05 28.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.69 20.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.468 HH11 HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.51 -37.07 77.34 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 179.42 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.2 t80 62.02 86.44 0.11 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.658 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.43 HD11 ' CZ ' ' A' ' 64' ' ' ARG . 58.2 tp -103.52 160.1 15.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.528 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -76.77 68.12 2.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -34.61 14.22 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.063 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -30.08 70.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.082 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 7.0 mm100 -69.84 -39.61 76.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.608 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 4.2 mp0 -72.94 -37.22 67.23 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 35.5 tt0 -63.99 -46.54 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.653 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.8 pp0? -56.29 -31.12 63.34 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.7 pp -87.28 -22.0 25.44 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.603 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.7 m -81.46 -20.5 40.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.187 0.518 . . . . 0.0 110.005 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 25.7 mm-40 -56.98 -27.58 61.52 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.913 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.64 -40.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.57 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.83 -32.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.069 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.68 -24.9 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.205 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m -59.85 -27.95 67.09 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.008 0.433 . . . . 0.0 111.412 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -152.05 57.45 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.787 0.803 . . . . 0.0 109.175 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -77.87 79.06 4.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.167 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -81.87 -18.41 43.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.751 0.786 . . . . 0.0 109.38 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.45 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.31 167.95 20.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.511 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -84.1 73.55 10.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.454 0.645 . . . . 0.0 110.186 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 13.7 p -93.16 141.93 13.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.457 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -155.14 86.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.997 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 m -98.26 116.76 31.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.409 HG22 ' CD2' ' A' ' 58' ' ' HIS . 12.5 tt -142.76 146.1 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.801 0.334 . . . . 0.0 110.14 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -117.03 -146.13 0.4 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 118.365 0.53 . . . . 0.0 110.931 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.91 136.67 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.017 0.437 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -132.32 135.16 46.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mt -133.59 93.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.265 0.555 . . . . 0.0 109.7 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -87.97 110.45 20.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.613 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.37 30.43 2.42 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.172 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.15 115.5 30.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.473 0.178 . . . . 0.0 111.188 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.76 43.41 30.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.12 -154.41 0.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.781 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 47' ' ' TYR . . . -99.73 -83.99 1.77 Allowed Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.95 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 37.0 tp -168.96 94.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.036 0.446 . . . . 0.0 110.73 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.49 99.44 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.896 0.379 . . . . 0.0 109.983 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.64 152.9 40.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.081 0.467 . . . . 0.0 111.182 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -151.45 120.14 6.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.699 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.8 127.31 51.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.7 73.32 1.12 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -144.34 138.51 27.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.03 147.32 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m 61.55 25.76 15.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.91 -1.041 . . . . 0.0 113.067 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -114.68 167.49 10.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.55 0.214 . . . . 0.0 110.542 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -77.08 146.16 37.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -126.42 16.28 7.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.03 -37.82 75.07 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.243 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.51 -38.71 65.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 109.991 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.12 -48.26 82.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.564 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 15.5 t0 -62.65 -47.13 85.05 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.148 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.75 -25.48 58.89 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.952 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -81.65 -51.46 8.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.613 0.244 . . . . 0.0 110.852 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -68.36 -34.58 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.628 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -74.22 -6.37 47.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 111.302 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 ttm -114.41 -49.12 2.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.517 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.27 -33.46 71.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -65.86 -11.41 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.116 0.26 . . . . 0.0 111.441 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -115.09 -30.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.109 0.481 . . . . 0.0 110.144 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.07 -58.31 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.761 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.45 99.54 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.423 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 3.8 p90 -133.66 23.15 3.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.547 0.689 . . . . 0.0 109.227 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 102.59 12.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.995 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 38.8 t70 -120.27 -177.5 3.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -76.11 56.07 3.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 62.78 26.29 15.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.275 0.63 . . . . 0.0 111.506 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.5 22.35 3.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.133 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.73 125.26 23.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.383 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -100.32 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.083 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 44.2 mt -112.77 88.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -121.3 103.67 9.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -85.93 95.59 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.601 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -94.12 83.2 4.24 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.982 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.8 74.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.12 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -85.75 62.02 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.546 0.688 . . . . 0.0 109.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.29 -25.41 46.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.202 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.64 -128.97 8.82 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.4 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -77.96 28.67 0.17 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.59 -25.7 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 58.93 64.38 1.43 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.081 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.7 tp -81.91 146.85 29.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.907 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -79.64 70.59 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -15.48 2.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.75 -22.57 65.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.001 0.429 . . . . 0.0 110.115 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.64 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 5.3 mm100 -73.8 -53.1 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.396 0.617 . . . . 0.0 109.519 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 24.2 mp0 -65.54 -34.0 77.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.194 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 tp10 -59.01 -46.75 87.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 7.9 pt20 -62.08 -36.76 82.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -80.15 -30.61 38.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.506 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -70.91 -27.72 64.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 47.2 mm-40 -55.62 -31.7 62.5 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.128 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.91 -46.35 88.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.17 0.509 . . . . 0.0 110.206 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.91 -32.92 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.025 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.558 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -63.27 -20.53 65.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.702 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.5 m -66.59 -24.78 66.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.172 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.31 60.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.279 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 1.1 pttt -74.27 75.02 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.56 0.695 . . . . 0.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -86.11 -32.41 21.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.941 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.417 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -72.88 167.51 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.597 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.95 73.84 6.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 109.618 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 14.4 p -109.13 134.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.175 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.27 117.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.367 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.3 m -108.9 146.26 34.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.7 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -153.86 138.74 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.966 0.412 . . . . 0.0 110.57 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -122.55 -176.41 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.655 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.811 0.339 . . . . 0.0 111.017 179.267 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--O 1.236 0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.39 144.28 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.461 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -138.03 134.1 34.38 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -131.96 99.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.001 0.429 . . . . 0.0 110.554 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -93.15 98.48 11.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.34 87.82 0.27 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.777 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -175.25 111.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 61.44 40.74 13.6 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.642 0.734 . . . . 0.0 110.776 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -161.03 -157.19 0.5 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.77 -87.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.905 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 55' ' ' ILE . 19.4 tp -161.82 95.91 1.0 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 97.0 6.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.213 0.53 . . . . 0.0 109.965 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -128.96 152.32 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -147.69 123.65 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -116.26 136.07 53.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.75 70.71 1.07 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.187 0.518 . . . . 0.0 110.882 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.547 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t0 -129.02 176.63 7.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.576 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.19 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.334 -0.246 . . . . 0.0 110.334 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t 64.2 14.42 8.62 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.849 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.53 -174.29 2.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -120.79 119.73 33.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.422 ' OD2' HD21 ' A' ' 61' ' ' LEU . 1.6 m-20 -74.3 37.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.5 -44.27 96.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.67 0.271 . . . . 0.0 110.865 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.8 -33.03 70.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.528 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.08 -49.45 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.373 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.14 -40.11 80.48 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.595 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.66 75.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.314 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.39 -38.64 68.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 110.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -54.57 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -24.93 64.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.234 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.11 -57.52 3.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.35 -39.42 83.18 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 m -60.1 -25.74 65.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mt -106.3 -20.67 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.241 0.544 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -83.81 -46.45 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.631 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -153.46 96.57 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.161 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -120.91 8.81 10.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.191 0.52 . . . . 0.0 110.434 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -126.3 118.37 24.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.396 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -104.38 -60.65 1.56 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.99 -28.53 5.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.736 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -103.92 -29.19 11.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.076 0.465 . . . . 0.0 109.964 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.6 80.73 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.301 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -65.81 110.08 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.065 0.459 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -85.08 112.43 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.644 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 mt -114.63 91.18 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.211 0.529 . . . . 0.0 109.955 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -121.07 115.24 22.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.937 0.399 . . . . 0.0 110.531 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 t -106.08 101.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.608 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -110.09 94.81 5.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.23 87.78 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.418 0.628 . . . . 0.0 110.139 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -85.78 63.62 8.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.673 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 14.5 mt -86.57 -54.12 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.143 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.76 -113.76 4.82 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.951 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.87 29.92 0.2 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.43 ' HG2' HD13 ' A' ' 61' ' ' LEU . 6.3 tpm_? -81.38 -35.5 30.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 58.06 48.3 13.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.516 0.674 . . . . 0.0 109.989 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.16 144.23 57.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.207 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -77.33 71.81 3.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.858 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.601 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 2.2 pttt -54.06 -17.82 3.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.443 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.073 0.463 . . . . 0.0 110.046 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 16.4 mm100 -68.6 -36.39 78.62 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.168 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.601 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 17.2 mp0 -83.85 -36.78 23.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.419 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -61.55 -42.14 98.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.454 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.7 pp0? -57.93 -36.32 72.34 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 1.9 pp -83.77 -33.18 25.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.217 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.7 m -65.95 -31.66 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.483 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -56.61 -27.61 58.59 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.594 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.5 -37.93 88.23 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.473 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.81 -16.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.212 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.589 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -69.33 -11.79 61.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 111.241 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.88 37.9 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.966 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -75.62 52.23 0.64 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.086 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.74 -23.57 53.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.86 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.429 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -70.47 173.22 7.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.874 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -81.9 69.74 8.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.041 0.448 . . . . 0.0 110.037 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.4 p -108.38 126.64 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.341 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.52 103.36 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -97.58 130.06 44.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.358 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.3 tt -138.68 137.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -114.85 -168.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 p90 . . . . . 0 C--O 1.236 0.346 0 CA-C-O 120.927 0.394 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.24 143.22 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -146.16 134.79 22.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mt -134.92 116.79 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -127.53 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.905 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.19 45.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.653 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -94.76 -33.68 12.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 111.593 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -132.35 9.59 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.089 0.471 . . . . 0.0 110.951 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -136.24 -177.17 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.27 -86.03 0.03 OUTLIER Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.004 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 tp -170.7 109.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.891 0.376 . . . . 0.0 110.984 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.69 102.02 8.54 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.77 149.72 45.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.37 . . . . 0.0 110.984 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -155.63 125.58 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.436 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 tt -131.79 129.9 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -122.05 82.33 1.94 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.52 0.2 . . . . 0.0 110.785 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -158.28 126.48 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 110.393 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.23 159.0 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.142 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 m 68.96 11.07 8.24 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.242 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -115.57 166.93 11.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.1 140.17 30.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.479 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 19.78 10.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.916 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.38 -36.57 80.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -73.74 -14.58 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.04 -49.01 6.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 21.7 t0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.34 59.99 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.84 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.17 -30.77 27.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -57.77 -47.65 81.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.343 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -8.88 59.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.375 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 ttt -90.84 -59.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.59 -39.51 80.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -57.56 -42.02 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.126 0.489 . . . . 0.0 111.221 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.3 -34.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.11 -59.1 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.506 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.05 105.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.953 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -109.78 20.3 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.492 0.663 . . . . 0.0 109.24 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.62 103.68 13.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -127.21 124.13 38.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.48 -12.12 84.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.329 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -96.25 0.03 50.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.015 0.436 . . . . 0.0 109.865 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.13 95.85 2.41 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.42 99.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.0 111.837 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -89.99 112.14 23.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.936 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 63.5 mt -106.58 95.99 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 m -114.12 105.04 12.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.132 0.492 . . . . 0.0 111.762 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.7 t -91.24 88.39 2.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -93.74 85.76 4.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 111.105 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.86 68.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.624 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -83.77 59.41 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.329 0.585 . . . . 0.0 109.688 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.98 -68.54 0.54 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.745 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 64' ' ' ARG . . . 130.08 -141.23 12.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.54 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.31 30.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -81.22 -9.54 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.8 t80 65.98 80.06 0.23 Allowed 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.684 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.5 156.55 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.279 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.19 94.6 5.1 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.838 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.52 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -59.86 -18.71 46.38 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.902 0.382 . . . . 0.0 110.453 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.515 ' OE2' ' HE3' ' A' ' 68' ' ' LYS . 55.8 mm-40 -63.59 -35.08 79.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.491 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.34 -45.37 73.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.796 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' ' HA ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -67.47 -44.24 79.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.122 0.487 . . . . 0.0 109.691 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 18.0 tt0 -56.85 -52.24 65.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.639 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -59.44 -39.86 84.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -75.11 -31.96 61.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.002 0.43 . . . . 0.0 110.473 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -71.09 -32.79 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.576 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 9.1 mm-40 -52.12 -29.42 21.71 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.23 -37.59 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.831 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.43 -18.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.164 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.49 71.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -25.08 67.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.44 0.638 . . . . 0.0 110.938 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -136.56 53.4 1.92 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -73.83 56.19 0.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.726 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.66 -29.49 51.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.457 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -69.85 152.02 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.558 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.33 86.22 6.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.185 0.517 . . . . 0.0 110.742 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 12.3 p -103.91 138.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -156.08 104.85 2.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 m -103.57 155.23 18.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 tt -155.37 117.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.346 0.593 . . . . 0.0 109.751 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.98 -174.53 2.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.017 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 179.11 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.0 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -145.71 138.28 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.259 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -133.45 134.39 43.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.965 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.57 124.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.566 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 23.8 pttt -138.66 135.79 35.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.147 0.499 . . . . 0.0 110.239 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.41 31.43 0.58 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.231 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -95.16 115.1 26.99 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.623 -0.34 . . . . 0.0 110.409 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 mttp 62.66 15.55 8.13 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.826 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.549 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 4.8 m120 -130.58 177.78 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.274 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.86 -84.83 0.21 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.538 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.8 tp -170.36 109.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.967 0.413 . . . . 0.0 110.631 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -127.51 112.96 15.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.861 0.363 . . . . 0.0 110.514 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.84 153.4 45.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.431 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -150.82 128.16 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.17 129.01 51.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.27 103.14 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.406 0.146 . . . . 0.0 111.191 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.591 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.5 t70 -166.05 -165.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -162.85 142.79 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.65 31.87 21.16 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 110.695 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 m -122.23 156.3 34.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.44 156.85 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.398 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -105.68 17.89 23.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.74 -42.2 67.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -87.37 1.29 53.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.382 . . . . 0.0 111.134 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -103.33 -50.83 3.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.962 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 6.4 t70 -57.36 -48.14 79.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.722 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.55 -28.98 38.65 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.191 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.647 0.261 . . . . 0.0 110.795 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -62.36 -35.99 80.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.598 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 3.4 t-20 -63.77 -54.11 40.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.03 -41.32 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.6 -43.68 93.64 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m -65.46 -14.28 60.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.783 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.39 -43.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.445 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -73.53 -35.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.55 97.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -114.62 8.39 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.627 0.727 . . . . 0.0 109.329 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.27 90.16 5.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.549 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 2.8 t70 -69.09 -54.06 16.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.05 -28.11 8.2 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.15 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -118.6 -52.1 2.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 0.0 110.487 -178.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.85 81.59 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 98.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.274 0.559 . . . . 0.0 111.868 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -87.33 101.53 13.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.42 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 32.2 mt -102.82 75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.5 m -111.46 97.85 7.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.015 0.436 . . . . 0.0 112.075 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.88 89.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -99.73 99.5 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.76 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.5 153.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.889 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 71.9 1.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.322 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 17.4 mt -106.77 -52.44 2.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.568 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 85.15 -86.41 1.56 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.735 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -84.38 46.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.256 0.55 . . . . 0.0 110.891 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -22.8 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.951 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 49.0 48.38 20.8 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.48 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 tp -99.27 137.39 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -67.87 116.59 8.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.74 63.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 110.317 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -64.36 -29.77 70.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.073 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.3 mm100 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.821 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 34.3 mt-10 -73.63 -38.9 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.89 -44.62 96.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.858 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.9 pt20 -62.48 -23.82 67.13 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -177.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -95.99 -35.66 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.245 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -73.21 -20.11 60.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.44 -36.11 61.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.787 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.61 -26.27 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -97.21 -31.18 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.584 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -56.26 -32.16 64.25 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -14.7 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.836 0.35 . . . . 0.0 111.323 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -144.45 38.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 110.044 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 21.6 pttp -81.02 52.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.52 0.676 . . . . 0.0 110.991 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.41 4.78 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.226 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -96.67 172.93 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.03 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -82.71 62.43 6.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -97.29 138.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 107.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -103.11 148.62 25.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.277 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.4 tt -170.61 155.61 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.62 159.34 40.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.479 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 CA-C-O 120.984 0.421 . . . . 0.0 111.156 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.7 p90 . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.744 0.306 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.15 148.26 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -144.82 131.87 20.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mt -138.68 120.71 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.979 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -131.81 137.92 48.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.529 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -164.43 48.18 0.3 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.026 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 t -100.36 108.36 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.631 -0.334 . . . . 0.0 110.263 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt 64.42 14.08 8.57 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.888 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.526 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 15.5 m120 -127.87 -179.32 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.05 -95.88 0.03 OUTLIER Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.58 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 39' ' ' GLN . 30.7 tp -168.11 101.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.202 0.525 . . . . 0.0 110.449 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -116.52 116.81 28.32 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -143.5 154.46 43.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.957 0.408 . . . . 0.0 110.597 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -152.21 135.9 16.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.115 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.55 124.42 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.067 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -105.7 108.5 20.05 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t70 -170.25 -167.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -167.38 140.51 3.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.562 0.22 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m 62.62 23.56 14.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.43 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.82 167.63 10.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.44 144.06 26.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.469 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -108.72 16.67 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.23 -36.93 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 111.601 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.81 -20.79 61.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.203 0.525 . . . . 0.0 110.386 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tp -85.56 -43.27 13.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.592 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 11.0 t70 -59.47 -47.3 86.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.53 59.54 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.602 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.16 -53.23 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 111.211 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -64.2 -37.98 89.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.608 -178.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -63.92 -49.31 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.2 ttt -62.1 -49.42 75.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.089 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.86 -47.86 84.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 m -65.3 -12.86 55.98 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -92.29 -48.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.0 -27.7 16.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.2 85.04 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.132 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -120.31 11.77 11.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.043 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 m -101.04 99.83 10.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.526 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 5.5 t70 -83.04 -44.48 15.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.405 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.8 -43.57 1.65 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.659 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -99.82 -45.13 5.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.366 0.603 . . . . 0.0 110.046 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.48 92.21 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.404 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.07 94.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.109 0.48 . . . . 0.0 110.972 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -78.71 90.62 4.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.071 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 43.8 mt -96.05 85.64 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 m -118.2 100.46 7.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.151 0.501 . . . . 0.0 111.765 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.69 93.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -100.13 97.09 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.507 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -94.78 135.97 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.45 60.66 0.94 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 36.0 mt -100.87 -49.7 4.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.111 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 87.79 -96.55 2.19 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.687 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -87.11 60.24 6.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.745 0.784 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 17.4 ptt-85 -84.23 -18.97 34.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.537 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.1 t80 50.58 57.71 6.31 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.9 tp -114.53 142.08 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.5 121.06 21.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -25.23 68.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.126 0.489 . . . . 0.0 110.291 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.49 -35.48 76.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.005 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 17.1 mm100 -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 8.9 mt-10 -85.57 -43.26 13.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.707 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.75 -34.07 75.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 22.5 pt20 -60.07 -35.89 76.17 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.1 pp -88.79 -25.08 22.44 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.6 m -69.8 -21.59 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.675 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.23 -31.39 63.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.308 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.52 -29.62 68.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.303 0.573 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.27 -26.86 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.708 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -27.26 62.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 p -73.33 -16.66 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 0.0 110.731 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -145.79 42.3 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.389 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -84.07 46.78 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.313 0.578 . . . . 0.0 111.11 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.05 -0.62 57.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.884 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -92.24 175.84 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.025 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.64 73.94 6.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -110.44 125.33 67.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -152.54 113.54 4.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -106.16 141.81 36.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tp -160.34 146.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.461 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.59 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 29.1 t0 -127.57 165.9 19.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.513 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.9 m . . . . . 0 C--N 1.323 -0.562 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.2 p90 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.17 143.9 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.465 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -152.44 139.93 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.406 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.8 127.16 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.159 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.93 106.26 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.396 . . . . 0.0 110.112 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.83 79.8 0.19 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -130.88 -69.87 0.63 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.755 0.312 . . . . 0.0 111.46 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -110.29 40.42 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.746 0.784 . . . . 0.0 109.147 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -158.68 -162.79 1.15 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.704 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.52 -95.18 0.32 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.045 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HB3' HG23 ' A' ' 55' ' ' ILE . 29.7 tp -163.17 101.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.284 0.564 . . . . 0.0 110.308 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.31 101.25 8.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.925 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -133.9 154.41 51.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.79 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -153.45 128.36 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.584 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -116.39 132.63 56.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.52 76.4 1.41 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.41 127.65 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.057 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.98 153.96 19.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.558 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.7 m 62.21 27.04 16.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.653 0.381 . . . . 0.0 111.528 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.9 m -127.4 158.81 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -92.38 128.23 38.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.007 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.52 34.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.401 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -60.15 -35.43 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.296 0.569 . . . . 0.0 110.567 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.23 -3.5 57.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.95 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -103.98 -52.83 2.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.501 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.59 78.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.291 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.46 99.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.3 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.54 -31.56 32.65 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.702 -0.293 . . . . 0.0 110.558 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -54.47 46.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.148 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.61 -34.95 76.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.8 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.3 tpp -61.73 -56.23 21.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.697 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.37 -36.52 84.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -61.35 -21.44 64.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 111.51 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -104.59 -34.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 110.348 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.96 -57.65 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.495 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -155.42 118.0 4.23 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.064 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -145.97 26.33 1.24 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.43 0.633 . . . . 0.0 109.539 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -104.16 84.11 2.18 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.655 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 25.8 t0 -96.04 145.58 25.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.076 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -95.65 -7.98 58.63 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HZ1' ' CG ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -107.0 18.05 22.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.98 0.419 . . . . 0.0 109.907 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.58 91.68 1.1 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.009 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.64 117.75 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.166 0.507 . . . . 0.0 111.795 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -93.41 107.59 19.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.9 mt -112.02 67.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.481 0.657 . . . . 0.0 109.821 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -95.93 90.68 5.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.188 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 88' ' ' SER . 41.7 t -81.43 102.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.897 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -106.52 93.62 4.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -95.64 82.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.211 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -94.37 74.87 3.89 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.71 -65.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.977 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.87 -79.69 0.36 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.676 -0.774 . . . . 0.0 113.046 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.6 35.96 3.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 110.961 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -23.46 26.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 t80 69.57 70.13 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.101 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 tp -69.44 141.22 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.29 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -85.0 93.82 8.67 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -28.09 68.46 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.88 -35.47 76.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.0 110.147 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -71.52 -36.37 71.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.19 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.599 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 7.7 mm-40 -78.34 -38.56 41.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.44 0.638 . . . . 0.0 110.524 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.3 tt0 -61.7 -48.32 81.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.636 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -32.16 65.66 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -85.59 -32.52 22.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -70.18 -26.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.48 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 7.3 mm-40 -51.98 -37.33 52.73 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.376 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.73 -49.75 75.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.02 -29.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.25 56.15 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.843 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -142.87 50.42 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.959 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -78.75 59.51 2.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.465 0.65 . . . . 0.0 111.468 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -77.31 -16.25 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.741 0.782 . . . . 0.0 109.226 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.514 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -75.61 167.8 21.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.853 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.8 68.39 10.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 0.0 109.936 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 2.9 p -96.65 119.84 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.622 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -140.84 94.68 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.138 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -95.89 129.68 43.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.109 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 89' ' ' ILE . 18.9 tt -148.94 135.28 12.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.978 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.496 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.2 p-10 -104.5 -176.55 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.894 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.603 0.24 . . . . 0.0 110.763 179.413 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.4 136.23 5.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.238 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 t -153.45 143.37 22.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.95 110.75 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -109.58 122.93 48.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.88 77.84 0.1 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.824 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 t -144.72 -48.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.61 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -107.88 -9.41 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 110.74 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -126.15 -158.62 0.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.96 -106.96 0.12 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.525 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.3 tp -148.84 105.18 3.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.121 0.486 . . . . 0.0 110.385 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -119.49 107.94 13.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.141 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.43 151.82 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.898 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 6.3 t-80 -152.02 128.17 10.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.501 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -126.91 133.84 50.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.14 60.21 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.806 ' OD2' ' HB2' ' A' ' 30' ' ' SER . 2.1 t70 -123.95 141.52 51.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.15 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.75 147.76 48.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.465 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.0 m 73.99 -29.44 0.2 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.679 0.792 . . . . 0.0 112.382 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.806 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 3.6 m -81.51 176.14 9.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -108.68 145.5 34.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 15.3 p-10 -100.75 49.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.983 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -33.37 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.512 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.73 -15.86 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.4 . . . . 0.0 111.27 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 11.7 tp -85.52 -52.67 5.68 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.694 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -32.41 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.561 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -50.75 61.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.016 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.3 -35.81 71.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.713 0.292 . . . . 0.0 110.389 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -54.84 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.07 -39.31 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.462 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -56.75 14.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.14 -36.32 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 t -64.85 -24.36 67.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -103.08 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 110.774 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -73.07 -66.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.232 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.14 118.32 3.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.826 0.346 . . . . 0.0 111.437 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -134.24 24.66 3.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.8 0.809 . . . . 0.0 109.117 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.33 90.74 8.19 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.809 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.61 -67.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.734 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.96 -40.82 1.92 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.296 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.4 0.619 . . . . 0.0 110.85 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.39 79.16 0.05 OUTLIER Glycine 0 C--N 1.314 -0.64 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 119.39 7.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.061 0.458 . . . . 0.0 111.534 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -94.19 102.56 14.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.8 mt -102.61 72.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -108.55 107.13 17.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.795 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -91.54 100.26 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.408 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 55.8 m170 -99.23 89.38 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.02 0.438 . . . . 0.0 110.573 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -96.7 74.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.476 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -79.57 64.34 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 110.101 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 8.5 mt -74.67 -75.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.621 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.57 -121.68 3.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.758 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -81.42 22.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.039 0.447 . . . . 0.0 111.064 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -65.89 -36.64 83.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.965 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 t80 54.56 66.1 1.33 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.479 0.657 . . . . 0.0 110.29 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.09 157.8 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.86 84.41 2.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.245 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.448 ' C ' ' HD2' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -51.74 -42.56 62.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.38 -179.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -60.87 -28.62 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.4 mm100 -72.95 -38.47 66.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.679 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 22.3 mm-40 -79.78 -30.2 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.266 0.555 . . . . 0.0 109.826 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.1 tp10 -62.68 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 18.6 pt20 -59.48 -34.64 72.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.555 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.3 pp -81.34 -31.01 33.64 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.103 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -67.04 -31.68 72.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.795 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 11.2 mm-40 -53.52 -35.36 60.58 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.887 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.62 -48.13 82.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.597 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.38 -28.73 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.592 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.86 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.591 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 m -70.75 -21.93 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -149.1 53.34 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.523 0.678 . . . . 0.0 109.759 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -80.35 60.97 3.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.82 -27.96 36.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.326 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -75.66 173.88 10.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.54 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -83.81 69.38 10.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 0.0 110.551 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -96.15 125.57 48.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.358 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -154.39 109.82 3.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.85 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -107.12 134.96 49.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.164 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.79 131.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.976 0.417 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.3 p-10 -113.76 -161.57 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.657 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 p90 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.75 0.309 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -137.3 147.62 26.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.444 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -145.45 137.09 25.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.9 mt -139.22 119.42 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.298 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -120.26 118.32 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.56 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -130.26 28.58 3.82 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.973 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -123.93 149.72 45.58 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.763 -0.257 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 57.32 23.66 9.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.556 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.478 ' CG ' ' H ' ' A' ' 20' ' ' GLY . 7.8 t-20 -173.56 -150.26 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' CG ' ' A' ' 19' ' ' ASN . . . -96.38 -91.4 1.82 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HG ' HD22 ' A' ' 23' ' ' LEU . 18.4 tp -154.63 109.52 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.63 102.25 8.11 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' H ' HD21 ' A' ' 23' ' ' LEU . 2.5 pt? -130.52 150.36 51.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.01 0.434 . . . . 0.0 111.183 -178.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -145.99 130.51 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.3 tp -120.31 136.39 54.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.57 77.16 1.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.728 0.299 . . . . 0.0 111.337 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 10.2 t70 -164.24 148.1 9.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.54 21.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.453 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' H ' ' HB2' ' A' ' 64' ' ' ARG . 80.3 m 52.61 34.77 16.47 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.971 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.524 ' O ' ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -125.95 137.2 53.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.084 0.469 . . . . 0.0 112.217 -179.042 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.41 95.87 8.73 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -89.77 82.67 6.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.758 0.79 . . . . 0.0 110.265 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.43 -17.51 63.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.604 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.22 -29.82 34.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.995 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -73.7 -50.43 20.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.099 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.99 61.43 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.64 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.09 -34.57 73.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.63 -0.137 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -58.16 8.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.211 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.7 -33.15 75.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 ttm -65.23 -56.45 12.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.013 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.415 HD13 ' HA3' ' A' ' 16' ' ' GLY . 27.1 mt -63.79 -43.85 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -61.14 -28.94 69.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 mm -91.64 -33.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.124 0.487 . . . . 0.0 111.014 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -66.19 -59.11 4.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.911 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.39 122.87 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.744 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -130.47 23.07 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.831 0.824 . . . . 0.0 108.968 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.72 92.61 9.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.44 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.73 -54.86 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.817 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.76 -26.74 21.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.675 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -117.57 -23.2 7.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 110.894 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.96 85.24 0.05 OUTLIER Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.61 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.49 134.71 45.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.153 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -111.39 112.07 23.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.785 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.583 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 18.6 mt -111.13 74.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -108.17 105.0 14.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.295 0.569 . . . . 0.0 111.548 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.1 94.49 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.419 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -99.09 88.3 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.021 0.439 . . . . 0.0 110.586 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.56 87.65 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.04 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.36 69.42 9.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mt -79.59 -77.4 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.317 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.67 -124.69 3.54 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.373 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -86.78 21.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.593 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -77.56 -27.74 51.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.174 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 58.32 77.9 0.27 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.98 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.2 tp -78.2 149.84 33.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.081 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 42.3 m-85 -81.34 76.04 8.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -24.49 57.67 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.134 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.87 -28.89 70.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.096 0.474 . . . . 0.0 110.101 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 11.8 mm100 -67.87 -37.88 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.475 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.717 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.3 mt-10 -83.87 -37.57 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -59.75 -41.71 91.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.383 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -61.78 -27.65 68.9 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.4 pp -92.29 -26.62 18.04 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.638 -0.425 . . . . 0.0 109.964 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -76.11 -21.89 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.233 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.36 -30.49 29.02 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.079 0.552 . . . . 0.0 112.128 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.2 -31.15 4.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.016 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.532 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -57.81 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 m -69.84 -11.5 60.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.379 . . . . 0.0 111.405 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -151.54 47.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 4.2 pttm -69.35 86.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.819 0.819 . . . . 0.0 112.199 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.93 -32.45 23.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.252 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -83.25 170.39 14.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.374 -178.773 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -80.58 70.41 7.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.516 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -97.7 120.8 47.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.19 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -147.79 122.18 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 m -114.91 140.96 48.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 89' ' ' ILE . 18.6 tt -146.76 137.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.542 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -132.21 -171.38 2.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.724 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.556 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -140.47 131.99 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -136.01 130.06 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 14' ' ' ILE . 41.1 mt -130.13 97.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 110.091 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.81 80.97 2.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.42 25.61 11.03 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.216 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.83 127.51 53.47 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.721 -0.282 . . . . 0.0 110.869 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm 60.21 41.03 17.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.472 0.482 . . . . 0.0 111.528 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.79 -165.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.21 -88.43 0.2 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.7 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.0 tp -174.06 89.52 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.8 0.333 . . . . 0.0 110.309 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -100.12 103.93 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.25 152.57 45.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.985 0.422 . . . . 0.0 110.963 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -148.8 133.27 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.138 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.6 tp -127.6 148.77 50.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.18 75.91 1.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.158 0.286 . . . . 0.0 110.575 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.547 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 35.9 t0 -156.35 159.59 38.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.533 0.206 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.36 152.15 41.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.989 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.0 m 65.26 20.06 11.82 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.953 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.9 m -120.54 177.43 5.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.867 0.365 . . . . 0.0 110.524 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -101.48 115.81 31.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -109.62 24.85 12.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -177.129 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HG3' HD21 ' A' ' 34' ' ' LEU . 4.2 pt-20 -60.98 -22.17 64.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.527 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 HD21 ' HG3' ' A' ' 33' ' ' GLU . 3.5 mm? -67.02 -35.43 79.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.162 0.506 . . . . 0.0 109.724 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -46.53 23.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.71 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -57.68 -40.08 78.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.363 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.43 91.06 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.323 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.61 -29.96 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.333 . . . . 0.0 110.347 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -49.85 76.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -74.33 -36.33 63.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.385 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -65.06 -51.94 58.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.52 -37.45 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 p -61.28 -40.31 93.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.38 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.2 mt -79.11 -29.86 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.89 -59.5 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.453 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.91 116.82 7.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -136.81 23.37 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.466 0.65 . . . . 0.0 109.585 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.18 112.18 23.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.696 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -127.63 145.96 50.71 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.99 -28.77 36.4 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.279 -0.486 . . . . 0.0 111.912 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -77.92 -56.82 4.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.336 0.589 . . . . 0.0 109.977 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.68 93.51 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 103.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.411 0.624 . . . . 0.0 111.81 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -91.77 104.0 16.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.419 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 24.1 mt -103.2 86.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.308 0.575 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -105.99 105.25 15.2 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.043 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 t -102.58 86.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.449 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -109.3 100.54 9.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.162 0.506 . . . . 0.0 110.446 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.48 93.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 3.9 mtpm? -81.46 89.96 6.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 23.6 mt -92.2 -84.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.85 -78.53 0.33 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -123.5 9.81 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.56 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -68.8 -28.84 67.12 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.912 -179.448 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 t80 60.21 88.33 0.08 Allowed 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.788 0.68 . . . . 0.0 110.907 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 tp -73.45 144.98 46.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -82.06 85.71 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -54.72 -36.49 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -58.74 -27.67 65.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.601 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 20.8 mt-30 -78.58 -48.89 14.27 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 21.1 mm-40 -65.73 -30.75 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.28 -46.7 79.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.184 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.601 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 17.6 pt20 -62.43 -31.75 72.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -90.37 -34.1 15.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.444 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.9 m -65.45 -31.2 72.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.756 0.312 . . . . 0.0 110.389 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.49 -20.98 59.39 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.075 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.73 -37.69 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.079 0.466 . . . . 0.0 110.695 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.69 -25.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.001 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.58 62.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.512 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -16.5 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.655 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -147.71 43.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 110.29 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -77.76 46.67 0.57 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.407 0.622 . . . . 0.0 111.981 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.659 0.742 . . . . 0.0 109.21 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.462 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -69.03 174.27 4.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.289 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.19 70.73 10.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 8.4 p -98.82 132.91 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.918 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -147.53 98.98 3.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.807 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -102.24 134.74 45.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tt -160.52 124.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.228 0.537 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -114.41 176.88 4.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.765 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 60' ' ' LYS . 6.8 m . . . . . 0 C--N 1.321 -0.666 0 CA-C-O 120.792 0.329 . . . . 0.0 110.561 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.234 0.261 0 CA-C-O 120.562 0.22 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.74 129.27 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -151.27 139.92 20.7 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.576 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.45 121.57 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.94 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.153 0.501 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.01 48.33 0.59 Allowed Glycine 0 CA--C 1.507 -0.451 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 p -104.17 -70.97 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.68 28.03 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.972 0.415 . . . . 0.0 111.347 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -153.82 -152.4 0.41 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.44 -96.94 0.9 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.266 -0.969 . . . . 0.0 111.754 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 23' ' ' LEU . 23.1 tp -152.64 98.63 2.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.074 0.464 . . . . 0.0 110.192 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -118.43 112.94 20.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.956 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' CD2' ' HG ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -138.36 150.37 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 -178.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -141.52 108.62 5.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.112 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.12 128.67 54.6 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.45 106.56 9.28 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.944 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -163.23 -160.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -153.94 131.65 11.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.377 -0.202 . . . . 0.0 110.776 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 m 65.73 15.7 10.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.646 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -97.61 143.78 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.766 0.317 . . . . 0.0 110.235 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' A' ' 33' ' ' GLU . 81.4 m-85 -85.67 149.6 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.507 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.493 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 5.9 m-20 -77.81 24.41 0.22 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.622 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' PHE . 17.9 pt-20 -60.11 -36.91 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.7 mt -96.72 9.94 40.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.966 0.412 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 tt -113.68 -55.48 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -58.75 -35.87 73.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.546 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.13 -38.11 60.41 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.781 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.58 -35.88 13.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.338 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -55.79 -56.6 18.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.65 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.422 ' O ' HG13 ' A' ' 44' ' ' ILE . 24.2 t-20 -61.92 -46.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.3 ttm -57.35 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.424 -178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.88 -37.15 86.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.9 m -60.63 -27.97 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.998 0.428 . . . . 0.0 111.577 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 40' ' ' ASN . 3.6 mt -109.66 22.54 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.627 0.727 . . . . 0.0 109.819 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -124.03 -61.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.171 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.39 108.38 4.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.93 25.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.257 0.551 . . . . 0.0 110.183 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.46 88.63 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -47.62 11.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.03 -30.9 6.81 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.013 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HE3' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -93.38 -37.98 11.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.889 0.344 . . . . 0.0 110.532 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.44 74.28 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.918 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -69.69 123.19 20.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.39 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -106.32 127.23 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 60.7 mt -117.06 91.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 m -125.51 117.13 22.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.032 0.444 . . . . 0.0 111.137 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -100.82 101.99 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.351 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.11 86.17 3.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.299 0.571 . . . . 0.0 109.747 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.49 93.52 3.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.993 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -98.0 61.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.516 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' ALA . 96.6 mt -99.95 -2.08 35.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.327 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.9 -123.97 31.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.041 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.78 59.5 3.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.451 0.643 . . . . 0.0 110.777 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' HD2' ' OD1' ' A' ' 32' ' ' ASP . 14.9 ptt180 -63.53 -20.42 65.6 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.344 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 57.39 41.26 26.62 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.736 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 HD22 ' OD1' ' A' ' 32' ' ' ASP . 2.2 tp -102.72 152.4 21.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.27 98.26 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.214 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -35.85 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.88 -28.34 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.236 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -65.16 -41.61 94.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.198 0.523 . . . . 0.0 109.797 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 23.3 mt-10 -69.63 -37.22 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.602 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -62.32 -48.48 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.685 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -59.94 -29.89 68.7 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.6 pp -87.43 -33.06 19.2 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -68.81 -32.28 71.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 36.8 mm-40 -58.23 -23.42 55.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.0 -33.86 76.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.316 0.579 . . . . 0.0 110.009 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.24 -16.7 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.313 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -63.69 -18.46 64.02 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.867 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -74.12 -27.14 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.189 0.518 . . . . 0.0 110.042 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -121.03 40.84 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.162 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 16.0 pttm -77.75 53.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.652 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -82.26 -22.66 35.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 109.563 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.04 170.09 16.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.206 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.08 80.64 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 110.927 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -100.42 124.9 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.553 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -147.75 104.82 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.35 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m -117.18 127.75 54.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.298 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 tt -148.25 124.8 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.288 0.566 . . . . 0.0 110.706 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.47 160.84 16.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.186 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 p -137.29 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.936 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -150.69 144.75 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.212 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.2 mt -136.33 99.58 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.123 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.4 83.45 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.443 . . . . 0.0 110.383 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -127.32 88.34 0.34 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.615 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -162.29 -63.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 110.606 -179.548 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' H ' HG22 ' A' ' 17' ' ' THR . 31.9 mmtm -121.84 52.99 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -172.07 -166.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.822 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -89.81 0.64 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.047 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -160.1 89.07 0.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.506 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.46 96.63 6.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -119.13 146.98 44.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -142.58 125.94 16.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.264 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -125.96 121.92 34.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.47 69.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -139.18 133.82 31.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.086 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.69 159.1 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.59 0.233 . . . . 0.0 111.277 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m 56.42 49.53 14.8 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.912 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -162.39 -171.72 2.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -130.56 166.79 19.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -173.53 96.95 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.79 6.56 38.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.84 -38.32 12.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.93 -53.78 54.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.621 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.69 -32.77 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.944 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.54 -49.2 75.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.593 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.0 -41.89 81.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.199 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.86 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.298 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -68.01 -39.94 83.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.407 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.7 mmm -65.94 -48.93 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.894 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.4 mt -57.39 -42.83 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -61.17 -36.36 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 111.075 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -80.71 -28.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.001 0.429 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.33 -71.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.42 101.25 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.88 -5.16 38.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 109.696 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.56 103.98 16.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.811 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -107.6 -172.5 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.886 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.2 27.23 7.83 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.242 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -55.34 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.394 . . . . 0.0 110.753 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.08 91.54 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -54.52 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.755 0.788 . . . . 0.0 112.743 -178.579 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -91.04 91.57 8.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.163 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 32.3 mt -91.93 64.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -108.91 96.86 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.532 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.1 96.99 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -110.22 96.63 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.59 149.48 13.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.264 0.554 . . . . 0.0 111.068 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.409 ' HG3' ' OG ' ' A' ' 91' ' ' SER . 3.8 ttmt -120.43 68.63 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 64' ' ' ARG . 19.5 mt -85.07 -29.32 25.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.205 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.58 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 68.21 -101.31 0.73 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.905 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -109.18 17.61 21.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.106 0.479 . . . . 0.0 110.264 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.7 ttt180 -60.19 -33.75 72.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.441 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.2 t80 61.73 85.23 0.12 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.482 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.72 158.69 15.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.314 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -75.68 75.16 2.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.177 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -54.25 -30.3 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.016 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.08 -41.07 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.8 mm100 -68.73 -44.14 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 mt-10 -65.61 -41.56 92.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.12 -46.34 84.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.534 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.1 pt20 -64.3 -32.2 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.5 pp -83.83 -31.2 25.95 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.93 -0.481 . . . . 0.0 110.756 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -67.72 -30.97 70.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.48 -30.14 39.54 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.27 -36.91 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.23 -18.36 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -62.29 -34.66 77.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.399 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -68.91 -17.32 63.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.283 0.563 . . . . 0.0 111.21 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -134.14 41.2 2.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.579 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -75.58 55.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.481 -179.159 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.43 -16.97 37.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.62 172.26 14.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.43 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -83.87 74.12 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -97.56 137.41 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -159.19 88.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.607 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.71 130.92 39.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -157.81 149.19 9.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 111.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -130.19 152.69 49.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.58 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 2.1 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.047 0.451 . . . . 0.0 109.96 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.709 0.29 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.08 142.12 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 t -155.46 142.62 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -132.97 135.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.069 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -129.79 93.05 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.316 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.04 72.94 0.43 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.796 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -142.98 -70.27 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.866 0.365 . . . . 0.0 110.194 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' H ' HG22 ' A' ' 17' ' ' THR . 13.6 ttpp -101.99 27.88 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 109.128 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.84 -171.74 4.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.802 -178.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -104.76 0.18 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.566 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' HB3' HG22 ' A' ' 55' ' ' ILE . 45.8 tp -144.87 86.67 1.8 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.202 0.525 . . . . 0.0 110.5 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 m -105.65 111.72 24.51 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.084 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.32 142.44 50.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.064 0.459 . . . . 0.0 110.637 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -131.13 121.17 24.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.781 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 27' ' ' ASP . 1.7 tm? -129.25 120.76 26.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.15 38.47 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 110.617 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' H ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.2 123.58 47.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.406 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.11 133.31 45.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.934 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.6 m 56.74 42.3 26.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.683 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -125.32 179.35 5.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.711 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -80.14 107.26 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.442 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.78 -2.22 58.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.667 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.0 -39.89 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.829 0.347 . . . . 0.0 111.255 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.66 -18.37 65.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.267 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tp -92.56 -52.15 4.78 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.184 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -40.19 78.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.598 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.18 -55.27 25.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.505 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.62 -37.6 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.638 0.256 . . . . 0.0 110.493 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.24 -55.44 31.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.809 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.1 -42.1 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.089 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.3 tpp -59.09 -57.08 14.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.205 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.0 mt -65.25 -28.44 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -64.95 -14.51 60.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.714 0.292 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -118.21 -35.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 110.281 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.14 -52.13 60.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.637 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.4 106.7 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.563 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -138.26 24.75 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.279 0.561 . . . . 0.0 110.398 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -132.78 93.6 3.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -88.61 -40.35 13.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.25 61.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.112 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.73 26.6 15.71 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.666 0.387 . . . . 0.0 111.981 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.31 30.8 1.44 Allowed Glycine 0 CA--C 1.507 -0.456 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.351 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.18 17.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.926 0.393 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -98.69 113.31 25.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.438 HG22 ' HB3' ' A' ' 21' ' ' LEU . 45.0 mt -107.84 75.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.508 0.671 . . . . 0.0 109.352 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 p -98.21 104.56 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.043 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.65 94.27 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.716 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -96.62 78.71 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.499 . . . . 0.0 110.252 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.62 91.3 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.984 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -95.57 62.26 2.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.04 -9.59 58.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.092 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.96 -135.9 40.67 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.472 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -86.65 34.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -31.47 72.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 t80 62.42 84.81 0.13 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.89 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.6 tp -115.3 158.92 21.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.431 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -74.01 81.53 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.0 110.282 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -54.37 -41.58 69.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.934 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.46 -42.81 88.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.596 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 16.7 mt-30 -68.81 -33.39 73.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.583 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.39 -29.75 42.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.54 0.686 . . . . 0.0 109.782 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 19.6 tt0 -75.09 -40.92 59.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.056 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.9 pt20 -56.39 -39.08 72.38 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.98 -31.22 62.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.282 0.563 . . . . 0.0 109.508 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.5 m -71.32 -28.8 64.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 72' ' ' GLU . 49.4 mt-10 -55.97 -26.55 48.71 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.39 -42.56 91.99 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -91.17 -30.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.002 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -62.76 -32.48 73.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.4 m -66.4 -14.57 62.34 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.32 45.57 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -72.56 58.46 0.42 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.506 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -82.04 -10.8 59.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.381 0.61 . . . . 0.0 110.178 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.31 171.19 9.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.546 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -80.99 75.64 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.407 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.34 130.76 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -143.8 101.59 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -98.27 130.17 44.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 tt -141.13 118.74 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.227 0.537 . . . . 0.0 110.828 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.52 175.95 5.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.968 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 120.593 0.235 . . . . 0.0 111.159 179.689 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.526 0.203 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.83 139.52 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.914 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.428 HG21 ' HB3' ' A' ' 24' ' ' HIS . 1.7 t -157.85 127.48 5.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.386 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mt -127.41 142.21 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.722 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -148.75 161.13 42.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.568 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.75 -37.02 0.18 Allowed Glycine 0 C--O 1.223 -0.538 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.119 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -53.52 -18.64 2.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.62 32.35 5.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.116 -0.365 . . . . 0.0 111.223 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.432 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 8.4 t-20 -177.72 -141.85 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.157 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 19' ' ' ASN . . . -100.01 -74.55 1.12 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD22 ' HG3' ' A' ' 39' ' ' GLN . 18.5 tp -157.74 109.99 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.842 0.353 . . . . 0.0 110.096 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.68 100.76 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.54 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -129.14 137.84 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 111.27 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.428 ' HB3' HG21 ' A' ' 13' ' ' THR . 11.6 t60 -138.95 124.98 19.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.567 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -131.89 128.13 37.93 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.654 0.264 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -116.64 105.38 12.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.123 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.8 t70 -165.8 -168.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.65 137.32 7.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.62 0.248 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.6 m 66.04 11.18 7.58 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.173 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -103.51 157.15 17.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.871 0.367 . . . . 0.0 110.751 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -81.93 139.29 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.554 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.7 p30 -99.1 19.56 15.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.473 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -59.29 -38.58 80.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 tp -68.5 -22.81 64.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.38 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 tp -85.06 -41.67 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.16 -38.24 82.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.544 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.34 49.96 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.03 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.3 -40.96 50.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HG3' HD22 ' A' ' 21' ' ' LEU . 22.5 tt0 -55.65 -48.95 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.5 -48.41 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.159 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.0 ttt -59.72 -55.66 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.47 -44.95 89.51 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.2 m -59.01 -29.61 67.38 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mt -96.91 -26.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.069 0.461 . . . . 0.0 111.034 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.37 -59.31 2.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.911 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -149.91 91.43 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.981 0.419 . . . . 0.0 111.359 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -101.38 -7.21 23.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.383 0.611 . . . . 0.0 110.015 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.85 126.2 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.138 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 19' ' ' ASN . 16.2 t70 -104.6 -54.1 2.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.03 0.443 . . . . 0.0 110.012 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.3 -28.61 11.45 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.422 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -47.88 3.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.79 79.88 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.385 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -66.94 120.11 13.05 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.327 0.584 . . . . 0.0 111.292 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -110.96 132.9 53.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.969 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.8 mt -112.77 76.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -96.64 109.09 21.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.535 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 88' ' ' SER . 12.7 t -101.65 97.14 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -109.39 100.79 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.335 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.52 118.59 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.931 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -105.02 34.07 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 110.52 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 90.8 mt -70.76 -27.98 64.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.473 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 76.33 -83.29 0.99 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.132 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -106.8 52.23 0.72 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.0 111.336 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.554 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 13.7 ptt180 -68.46 -26.84 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.3 t80 55.73 39.3 30.8 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.627 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.6 tp -87.02 142.7 27.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.05 106.07 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -21.15 63.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.405 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.74 -35.18 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 4.3 mm100 -66.97 -41.06 87.49 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 13.1 mm-40 -74.58 -38.7 62.58 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -52.66 64.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.225 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.6 pp0? -56.39 -32.39 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.8 pp -88.26 -31.5 18.99 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -69.14 -29.05 67.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.797 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 72' ' ' GLU . 95.5 mt-10 -51.03 -34.24 28.66 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.807 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.4 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.27 -30.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.999 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.13 71.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.741 0.305 . . . . 0.0 111.666 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 m -70.42 -5.46 28.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -154.23 46.9 0.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -79.33 61.23 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.49 0.662 . . . . 0.0 112.129 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.324 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.414 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -74.98 160.49 30.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.794 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.31 78.93 4.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.483 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.99 143.6 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.161 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -159.46 97.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.406 ' HA ' ' HB ' ' A' ' 57' ' ' VAL . 1.4 m -105.29 125.47 51.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.253 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.9 tt -154.91 132.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.433 0.635 . . . . 0.0 111.754 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.99 143.9 51.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.609 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.6 m . . . . . 0 C--N 1.323 -0.58 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.0 p90 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -149.41 151.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.417 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -149.76 140.11 22.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -132.84 110.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.334 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -106.94 94.11 4.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.65 70.04 0.5 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -144.82 122.39 11.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.712 0.292 . . . . 0.0 110.952 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 56.63 29.0 14.9 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.444 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.478 ' HA ' ' CB ' ' A' ' 49' ' ' ASP . 4.6 t-20 -159.6 -148.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.68 -115.22 1.77 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.961 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 ' HG ' HD22 ' A' ' 23' ' ' LEU . 49.9 tp -153.57 96.83 2.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.207 0.527 . . . . 0.0 110.297 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -112.95 99.64 8.03 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' HG ' ' A' ' 21' ' ' LEU . 1.6 pt? -130.68 154.39 47.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.56 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -154.35 128.69 9.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.275 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 tp -114.93 140.18 49.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.706 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.67 83.55 2.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.171 0.51 . . . . 0.0 109.662 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.74 126.39 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.385 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.62 150.43 23.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.524 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.8 m 73.26 -2.85 2.61 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.432 0.693 . . . . 0.0 112.79 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -110.05 150.39 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.214 -0.304 . . . . 0.0 110.472 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -88.11 136.41 32.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.693 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 11.7 p-10 -89.56 51.93 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.387 0.613 . . . . 0.0 111.189 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.29 -24.12 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.586 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.16 -1.77 56.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.105 0.478 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 7.2 tp -101.91 -48.98 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.168 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -36.7 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.581 ' O ' ' HB2' ' A' ' 41' ' ' MET . . . -61.59 -48.31 85.34 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.186 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.9 -40.82 83.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.0 110.296 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -51.58 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.567 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.73 -40.35 66.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.481 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.581 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 2.6 tmm? -59.78 -51.96 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.269 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.58 -37.62 85.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -68.17 -14.14 62.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.934 0.397 . . . . 0.0 111.886 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -105.94 -34.51 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.017 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.69 -69.47 0.46 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.53 116.43 5.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.056 0.455 . . . . 0.0 111.063 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.79 8.8 4.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.288 0.566 . . . . 0.0 109.722 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.484 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 3.2 m -100.21 89.96 4.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' CB ' ' HA ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -72.87 -43.64 62.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.135 179.543 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.41 -8.14 32.56 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.806 -0.712 . . . . 0.0 114.088 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 2.9 mppt? -135.68 25.68 3.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.157 0.978 . . . . 0.0 112.041 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.76 83.9 1.75 Allowed Glycine 0 C--N 1.315 -0.597 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 48' ' ' THR . 1.5 pm0 -77.55 139.22 39.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.045 0.45 . . . . 0.0 111.24 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 85.9 tttt -104.89 107.54 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.677 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 10.0 mt -107.13 64.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.29 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -95.62 100.36 12.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.156 0.503 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 88' ' ' SER . 49.1 t -88.4 97.57 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.389 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 64.3 m170 -99.82 92.22 5.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -95.79 80.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.467 0.651 . . . . 0.0 110.587 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -85.36 69.69 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.121 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.2 -79.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.1 0.476 . . . . 0.0 110.312 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.77 -105.2 0.34 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.113 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -100.72 25.58 7.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.845 0.355 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -72.08 -33.15 67.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 57.22 62.42 2.2 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.809 0.693 . . . . 0.0 110.2 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.54 156.19 37.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.014 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -72.93 86.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.098 0.475 . . . . 0.0 110.453 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -45.57 71.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.798 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -54.23 -37.09 64.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.671 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.585 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 11.5 mt-30 -66.43 -45.62 79.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.855 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.0 mm-40 -73.27 -33.32 65.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.181 0.515 . . . . 0.0 109.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -65.28 -48.69 72.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.585 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.3 pp0? -58.16 -32.78 68.52 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.6 pp -82.64 -32.72 28.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.317 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -73.65 -27.75 61.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.289 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -49.18 -36.97 21.07 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.978 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.75 -52.18 66.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.116 0.484 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mp -75.88 -30.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.964 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.71 -24.27 65.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.98 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.7 m -65.81 -30.31 70.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 0.0 110.754 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -137.26 48.52 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -72.21 78.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.68 -3.98 57.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.852 0.834 . . . . 0.0 109.336 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.418 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.19 172.07 8.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.034 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 77.6 m-85 -85.99 67.64 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -99.62 124.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.289 0.566 . . . . 0.0 111.552 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -155.26 126.1 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.269 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 11.0 m -117.58 140.78 49.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.663 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.1 tt -147.5 135.86 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -111.66 -171.85 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.326 -0.433 0 O-C-N 122.089 -0.382 . . . . 0.0 111.616 -179.281 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 120.505 0.193 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.83 137.07 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.003 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 t -155.49 141.82 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mt -136.57 121.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.1 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.02 100.35 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.45 29.61 4.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.211 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 t -121.57 139.53 53.39 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mttt 56.28 34.41 23.99 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -175.13 -139.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.229 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.547 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -104.11 -101.21 2.65 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.934 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD23 ' HG2' ' A' ' 39' ' ' GLN . 61.8 tp -160.08 97.41 1.26 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.082 0.467 . . . . 0.0 110.694 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -111.48 114.84 28.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.682 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.87 149.6 51.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.401 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.465 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 12.5 t-160 -158.6 126.52 5.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.563 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.8 tp -126.95 131.99 50.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -112.45 81.18 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.89 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -151.19 123.7 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.15 142.61 27.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.3 m 56.27 66.82 1.1 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.728 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 172.68 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -112.01 100.8 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.4 0.619 . . . . 0.0 109.468 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.29 45.05 0.82 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.503 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -58.21 -36.42 73.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.361 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.94 -33.46 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 tp -70.68 -47.92 57.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.97 -40.03 96.48 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.44 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.87 -48.1 87.74 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.783 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.28 -36.86 85.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.046 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' HG2' HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -57.76 -48.04 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.237 179.119 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -67.98 -45.67 73.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ttt -57.46 -55.51 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.97 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.69 -37.92 85.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 t -60.95 -35.61 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.079 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.56 -35.62 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.1 -68.02 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.174 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.57 129.47 6.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 0.0 111.606 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -132.83 12.15 4.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.611 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.44 88.33 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.662 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.4 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -36.2 2.27 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.79 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 28.74 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.224 0.535 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.83 114.81 3.77 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.879 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.547 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 1.6 pm0 -104.1 147.19 27.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.233 0.54 . . . . 0.0 111.322 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -103.7 104.62 14.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.115 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 18.3 mt -102.32 67.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.798 0.809 . . . . 0.0 108.902 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 m -98.28 99.83 11.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.665 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 88' ' ' SER . 18.8 t -86.84 91.07 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.547 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 13.4 m-70 -97.03 81.83 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.873 0.368 . . . . 0.0 111.338 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.12 73.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.662 0.744 . . . . 0.0 109.964 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.8 mtpt -79.73 59.44 3.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.561 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.2 mp -80.38 -78.09 0.18 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 119.73 95.86 1.6 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.245 -0.979 . . . . 0.0 112.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 61.96 47.03 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.448 0.642 . . . . 0.0 110.357 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.512 ' NH1' HD21 ' A' ' 66' ' ' LEU . 20.9 ptt180 -83.34 -32.64 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.0 t80 52.95 61.95 2.93 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.685 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.512 HD21 ' NH1' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -89.31 -169.28 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.166 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.62 80.95 8.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.272 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -59.47 -32.22 70.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -58.87 -43.7 90.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.411 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 20.3 mt-30 -66.58 -41.09 89.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 35.1 mt-10 -63.4 -49.94 71.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.642 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.2 -44.74 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp0? -59.87 -38.7 82.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -33.86 58.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.926 0.393 . . . . 0.0 110.128 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -68.49 -32.52 72.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.787 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.94 -34.16 69.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.485 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.33 -29.28 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 110.947 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.5 mt -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.27 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -12.38 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.365 0.602 . . . . 0.0 110.422 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -149.12 45.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.951 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.65 59.52 0.46 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.348 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.15 -11.96 51.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.67 0.747 . . . . 0.0 109.397 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.413 HD12 ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -84.0 170.05 14.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.156 179.707 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -89.49 72.72 7.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.345 0.593 . . . . 0.0 110.259 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.7 p -98.79 136.12 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.624 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.23 109.95 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -101.27 150.12 23.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 179.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.0 tt -150.71 129.81 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.82 171.83 7.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.42 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.486 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 50.8 m . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 121.322 0.582 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.08 135.6 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.83 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -148.29 135.52 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.74 133.22 69.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -135.85 106.58 6.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.118 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.417 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -146.09 67.84 0.4 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.374 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -148.55 125.23 11.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 58.55 33.51 23.16 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.25 -159.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.851 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -97.99 0.92 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.919 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.8 tp -164.37 104.57 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.359 . . . . 0.0 110.124 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -122.4 115.1 21.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.097 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 pp -149.81 166.26 30.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.914 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.541 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 16.5 p80 -162.61 137.77 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.457 178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -124.64 120.97 33.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.93 83.73 1.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.776 0.322 . . . . 0.0 110.732 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -163.28 124.77 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.532 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.76 157.82 17.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.88 0.372 . . . . 0.0 111.803 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.0 m 58.5 56.4 4.34 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.982 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.74 167.78 26.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.13 111.75 23.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.048 0.451 . . . . 0.0 110.041 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.45 45.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.534 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -63.33 -44.68 94.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.67 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.44 -35.24 79.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.392 . . . . 0.0 110.461 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 19.9 tp -63.41 -47.88 80.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.761 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HA ' ' NE2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -58.89 -39.56 81.83 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.708 179.218 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.26 97.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.773 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.29 -42.88 92.67 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.54 ' NE2' ' HA ' ' A' ' 36' ' ' ASP . 18.9 mt-30 -54.12 -50.57 66.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.628 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -64.47 -54.05 38.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.668 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 ttm -55.29 -50.02 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD13 ' HA3' ' A' ' 16' ' ' GLY . 95.1 mt -61.88 -41.61 98.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 m -62.94 -37.69 88.06 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.514 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.48 -21.76 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.322 0.582 . . . . 0.0 110.45 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.98 -51.73 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.78 155.76 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -153.61 -31.64 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.08 90.59 7.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.674 0.273 . . . . 0.0 110.506 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -66.93 -52.37 43.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.86 -11.24 7.85 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.557 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -151.73 28.82 0.61 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.157 0.979 . . . . 0.0 112.255 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.7 92.96 2.14 Favored Glycine 0 C--N 1.319 -0.361 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.213 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.8 137.4 36.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.414 0.626 . . . . 0.0 111.8 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 81.1 tttt -108.52 112.55 24.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.547 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 17.7 mt -107.93 63.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.714 0.768 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -89.02 92.47 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 88' ' ' SER . 47.1 t -86.39 93.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.635 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 40.1 m170 -107.87 112.6 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.577 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -108.39 117.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.823 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -112.26 48.11 1.01 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.301 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mp -76.38 -77.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.38 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 107.47 122.25 4.81 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.301 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 p30 44.22 39.73 3.15 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 112.18 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -24.87 62.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 110.201 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 57.17 31.81 20.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.364 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.9 155.06 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.828 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 80.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.067 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -50.48 -26.26 4.93 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.986 0.914 . . . . 0.0 112.904 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.63 -20.94 66.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 2.7 tt0 -65.97 -48.9 69.73 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 0.0 111.748 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 mp0 -71.23 -31.16 67.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -46.42 77.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.061 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp0? -59.31 -26.24 64.83 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.3 pp -91.88 -34.26 14.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.536 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.3 m -71.09 -29.8 65.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.17 -24.24 66.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.41 -21.6 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 0.0 110.191 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.0 -20.4 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.59 -22.26 66.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.635 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.68 62.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 110.194 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 46.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.122 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -70.67 68.08 0.39 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.547 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -94.68 -10.67 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.688 0.756 . . . . 0.0 109.385 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.488 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -80.05 161.27 25.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.196 -179.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 35.5 m-85 -82.75 62.61 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.2 p -90.01 140.3 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.007 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 106.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.606 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -98.98 150.22 22.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 tt -163.73 142.13 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 50.1 t0 -130.89 167.71 18.52 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.425 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.6 m . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 120.94 0.4 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 p90 . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.84 144.06 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.656 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -157.05 130.12 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.9 mt -117.03 125.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -121.25 102.93 8.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.945 0.402 . . . . 0.0 110.452 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.76 48.36 0.97 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.05 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -127.95 132.82 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.48 43.48 30.27 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.233 0.54 . . . . 0.0 110.366 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.27 -146.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.867 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.12 -90.88 2.2 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.825 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HB3' HG23 ' A' ' 55' ' ' ILE . 57.8 tp -161.52 100.07 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.949 0.404 . . . . 0.0 110.62 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 114.2 23.22 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.882 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 pp -142.6 165.72 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.651 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 47.0 p-80 -161.19 142.96 11.91 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.156 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.2 143.88 48.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.74 91.79 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.283 0.364 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -171.56 118.08 0.43 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.334 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.9 151.64 23.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.2 m 59.08 48.55 10.5 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.109 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -138.47 147.26 43.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.288 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -91.86 99.36 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.166 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.29 39.03 0.44 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.9 -23.08 64.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.04 -24.85 62.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.746 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.16 -30.42 67.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.99 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -61.83 -35.95 79.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.984 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.83 -53.15 41.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.472 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.58 -42.73 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.22 -48.83 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -66.66 -51.11 59.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.221 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.48 -44.87 89.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.188 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 53.3 mt -63.94 -35.34 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -34.16 76.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.156 0.503 . . . . 0.0 110.394 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -84.77 -34.09 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.02 -67.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.228 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 136.73 16.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.002 0.43 . . . . 0.0 111.522 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -128.38 -13.65 4.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.22 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -96.86 87.02 4.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.448 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -49.92 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 110.303 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.96 -55.58 0.52 Allowed Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.345 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -140.58 25.6 2.18 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.66 109.86 0.6 Allowed Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.746 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -112.63 135.71 53.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 37.8 ttmt -113.92 117.13 30.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.264 0.554 . . . . 0.0 111.183 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 2.7 mp -111.7 65.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.953 0.882 . . . . 0.0 109.485 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 54.1 m -93.39 84.89 4.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.818 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.627 ' O ' ' HA ' ' A' ' 88' ' ' SER . 48.0 t -80.38 98.11 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.869 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.651 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 30.5 m170 -105.67 103.6 13.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.204 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.69 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -103.68 100.74 11.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.136 0.493 . . . . 0.0 110.078 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -96.4 60.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.376 0.608 . . . . 0.0 110.676 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mp -91.1 -68.79 0.77 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.413 ' CA ' ' HB2' ' A' ' 91' ' ' SER . . . 100.27 116.2 3.9 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 p30 45.26 45.55 9.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.723 0.773 . . . . 0.0 111.169 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -17.7 64.35 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.9 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 66.67 14.4 9.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.833 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.8 tp -78.21 149.03 33.75 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.486 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 10.8 m-85 -66.51 107.48 2.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.477 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -60.22 -41.29 92.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.58 -23.79 66.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.137 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 1.2 tt0 -64.49 -39.06 93.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.042 0.449 . . . . 0.0 109.794 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 2.2 mm-40 -71.53 -39.33 70.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.289 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 75' ' ' THR . 5.1 mm-40 -64.13 -48.38 76.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.524 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.4 pp0? -61.9 -29.9 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -84.19 -33.6 24.14 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.68 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 72' ' ' GLU . 5.2 t -79.64 -14.25 58.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.594 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.15 -35.81 76.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.99 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.89 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.063 0.458 . . . . 0.0 110.603 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -100.52 -7.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.431 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.04 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.32 -5.14 45.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -154.88 39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.135 0.493 . . . . 0.0 110.546 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -79.22 65.91 4.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.272 0.558 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.43 19.59 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.059 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.02 179.03 4.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.716 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 73.6 m-85 -88.82 68.11 8.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.463 0.649 . . . . 0.0 109.669 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.0 p -97.05 139.1 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.252 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -161.72 109.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.386 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.627 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 22.3 t -115.05 146.86 40.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.176 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 tt -168.02 141.72 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 120.644 0.259 . . . . 0.0 110.859 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.69 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 15.8 t0 -124.35 168.86 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.413 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -76.06 126.19 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -148.22 120.73 8.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.002 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.0 tpp -71.36 133.03 45.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.589 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -109.57 146.44 34.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.169 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 -166.67 1.65 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.821 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -76.31 168.92 19.19 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.654 ' HB2' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -116.32 162.81 16.95 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.877 0.37 . . . . 0.0 110.727 -179.567 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -112.22 -52.75 2.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.77 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 10.9 mt-30 -131.13 103.54 6.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.654 ' CD1' ' HB2' ' A' ' 8' ' ' LYS . 3.1 m-85 -125.19 165.08 18.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.044 0.45 . . . . 0.0 111.472 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -138.17 139.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.339 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -153.48 138.59 17.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.849 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -135.23 117.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.304 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 39.7 tttp -107.76 111.6 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.153 0.501 . . . . 0.0 111.277 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.04 67.23 0.31 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.555 HG21 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.73 -70.67 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.602 -0.299 . . . . 0.0 111.584 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.555 ' H ' HG21 ' A' ' 17' ' ' THR . 11.0 mtpt -117.77 17.2 14.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.607 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 2.5 m120 -128.42 -166.39 1.62 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.949 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.76 -97.54 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.148 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 tp -161.96 99.95 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 110.396 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.79 106.04 13.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.022 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -126.7 147.01 49.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.057 0.456 . . . . 0.0 110.969 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -140.52 113.94 8.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.248 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -108.34 128.71 54.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -122.3 78.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.708 0.29 . . . . 0.0 110.275 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -155.84 135.96 12.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.444 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 143.93 34.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.8 m 58.84 20.42 7.98 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.454 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -116.73 152.92 33.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -77.08 146.86 37.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.003 0.43 . . . . 0.0 111.055 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -116.9 30.76 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.6 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.29 -28.4 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -85.47 -3.8 58.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.1 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 5.9 tp -103.87 -50.84 3.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.5 70.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.73 -53.82 40.42 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.426 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.4 -35.94 81.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.474 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -51.26 60.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.694 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.44 -42.26 62.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.13 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ttt -56.37 -48.5 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.936 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.53 -41.58 79.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 m -60.55 -37.87 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.4 mt -79.14 -35.83 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.013 0.435 . . . . 0.0 110.25 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -65.63 -67.56 0.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.538 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HG2' ' H ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -165.61 119.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.669 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -117.75 18.89 14.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.92 0.867 . . . . 0.0 108.703 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.435 ' H ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -80.91 98.7 8.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.183 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.22 -52.08 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.86 -31.95 6.7 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -44.78 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.435 0.636 . . . . 0.0 110.266 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 86.53 0.07 OUTLIER Glycine 0 C--N 1.312 -0.784 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.256 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.43 113.13 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.26 0.552 . . . . 0.0 111.649 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -89.93 97.13 11.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.793 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 6.8 mt -102.97 70.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.435 0.636 . . . . 0.0 109.604 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.8 m -106.58 102.21 11.61 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.77 94.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -102.05 92.4 4.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.159 0.505 . . . . 0.0 110.637 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.37 83.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.53 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -83.13 68.73 9.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.41 0.624 . . . . 0.0 109.901 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.02 -68.7 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.803 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.84 -121.1 3.85 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -85.69 22.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.33 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.1 t80 56.02 73.87 0.41 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.342 0.592 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 HD12 ' H ' ' A' ' 67' ' ' TYR . 46.4 tp -80.09 151.82 29.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.982 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' H ' HD12 ' A' ' 66' ' ' LEU . 19.6 m-85 -78.35 81.22 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.5 -27.59 68.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.858 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -73.52 -36.89 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.997 0.427 . . . . 0.0 110.54 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.701 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.7 mm-40 -86.01 -31.75 21.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.383 0.611 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 40.9 tt0 -62.96 -41.07 99.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.191 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.452 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -79.57 -29.61 41.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.21 -31.86 72.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 6.1 mm-40 -54.08 -32.96 56.31 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.387 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.69 -34.85 79.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.148 0.499 . . . . 0.0 110.652 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -88.49 -27.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -60.84 -27.12 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.996 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -71.23 -13.08 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -143.12 39.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.36 0.6 . . . . 0.0 109.97 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 48.4 pttt -75.48 62.12 1.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.373 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.89 -11.94 37.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.759 0.79 . . . . 0.0 109.25 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.6 175.17 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.74 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -84.94 73.65 10.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.903 0.382 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.6 p -100.78 130.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.686 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -156.02 105.45 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -109.35 133.54 52.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.5 tt -157.77 135.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.455 . . . . 0.0 110.874 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -110.51 -153.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.893 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.5 m -135.26 37.52 2.96 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.107 -0.371 . . . . 0.0 111.429 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.57 169.06 1.4 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.494 0.664 . . . . 0.0 112.293 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.87 117.25 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.074 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.6 tt -59.33 126.21 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.362 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 m -121.19 114.98 22.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -85.76 81.32 8.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.123 0.487 . . . . 0.0 109.835 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -136.29 145.42 45.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.494 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -82.39 81.17 8.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.165 0.507 . . . . 0.0 110.08 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.61 74.57 8.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.272 0.558 . . . . 0.0 109.636 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -71.45 122.39 20.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.651 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -85.77 81.55 8.54 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.334 0.587 . . . . 0.0 110.234 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tp -125.14 114.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.007 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -123.0 125.47 45.31 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.602 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -107.35 13.87 26.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 . . . . . 0 C--O 1.245 0.838 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.533 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.2 163.89 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.291 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -96.31 171.32 8.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.304 0.574 . . . . 0.0 111.215 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.3 mtt -103.42 -174.83 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.604 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -71.4 138.74 49.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.57 168.17 14.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.698 0.285 . . . . 0.0 111.223 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -61.68 152.73 30.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.097 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.1 147.3 38.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.698 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -80.25 -51.1 9.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 16.7 pt20 -106.27 146.62 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.532 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -167.73 -171.93 1.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.09 136.71 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.064 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -155.67 143.46 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.905 0.383 . . . . 0.0 110.272 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.79 117.06 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.88 105.8 15.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.966 0.412 . . . . 0.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.18 89.27 0.15 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -124.6 -82.69 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.996 0.427 . . . . 0.0 111.182 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -111.26 25.83 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.0 109.684 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -130.53 -165.05 1.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.575 -1.193 . . . . 0.0 108.543 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.56 -87.58 0.39 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.381 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.9 tp -170.58 110.74 0.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.827 0.346 . . . . 0.0 110.617 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 90.36 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.78 144.84 34.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.02 0.438 . . . . 0.0 111.08 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -149.61 111.83 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.83 125.08 51.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -122.12 81.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.633 0.254 . . . . 0.0 111.335 -178.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 31.3 t0 -154.52 145.58 22.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -107.5 144.63 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.6 m 68.09 -2.7 1.42 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 66.7 m -87.36 158.65 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.607 0.242 . . . . 0.0 110.575 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -85.82 139.85 30.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.952 0.406 . . . . 0.0 110.487 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -100.05 24.06 9.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.757 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -57.33 -37.23 72.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.05 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -76.77 -36.67 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.109 0.481 . . . . 0.0 109.815 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.9 tp -66.04 -54.9 20.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.735 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.17 -40.71 86.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.353 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.52 -50.28 61.01 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.02 -35.66 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.66 0.267 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -55.06 39.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -63.73 -37.05 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.87 -52.57 59.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.73 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.18 -36.66 82.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -58.49 -25.2 62.1 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -113.34 8.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.416 0.627 . . . . 0.0 110.288 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.87 -55.74 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.21 106.67 4.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.314 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.8 31.88 2.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.633 0.73 . . . . 0.0 109.437 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.4 121.74 45.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.698 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.452 ' HB3' ' N ' ' A' ' 53' ' ' GLN . 43.0 t0 -139.23 126.39 21.26 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.38 -11.79 76.37 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.325 -0.464 . . . . 0.0 112.785 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HZ1' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -108.55 12.69 25.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 110.092 179.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.67 99.14 2.02 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.597 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.452 ' N ' ' HB3' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -60.93 114.0 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.132 0.491 . . . . 0.0 111.476 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -90.7 106.81 18.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 20.9 mt -107.51 93.26 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -110.84 108.18 17.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -96.94 93.61 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.736 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -103.2 90.71 3.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.963 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -97.99 80.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.972 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -86.91 66.85 9.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.439 0.637 . . . . 0.0 109.98 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 10.8 mt -88.15 -11.01 48.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.996 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.86 -137.18 28.17 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.775 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -78.21 33.96 0.2 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -77.75 -13.86 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.41 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.8 t80 65.35 80.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.08 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -92.95 127.46 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.282 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -75.59 92.13 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HZ3' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.87 -20.24 49.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.824 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.472 ' CD ' ' HZ3' ' A' ' 68' ' ' LYS . 31.0 mm-40 -59.53 -42.58 92.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.646 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.2 mm100 -64.56 -45.81 85.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 3.6 tt0 -64.06 -45.43 88.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.83 -47.58 84.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.226 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.2 pt20 -58.6 -32.65 69.19 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -84.44 -29.96 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.648 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.2 m -74.15 -28.06 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -49.62 -37.81 29.46 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.73 -29.17 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.621 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.58 -27.54 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.998 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -19.37 64.32 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.39 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.175 0.512 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -153.03 46.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.331 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -78.69 63.77 3.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.264 0.554 . . . . 0.0 112.205 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.22 -16.09 58.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.817 0.818 . . . . 0.0 109.1 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -75.42 169.79 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.315 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -88.17 71.45 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.471 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.4 p -99.66 129.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.593 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -142.2 102.82 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.172 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -99.81 135.77 40.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.335 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.5 tt -152.49 139.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.118 0.485 . . . . 0.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' OD1' ' HG3' ' A' ' 92' ' ' GLU . 3.2 p30 -111.2 -169.23 1.42 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.035 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m -147.24 37.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.629 0.252 . . . . 0.0 110.744 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HG3' ' OD1' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -85.42 -172.63 4.24 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.984 -179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -128.71 124.85 62.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.575 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -61.01 118.09 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.957 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.4 t -154.47 148.91 26.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.6 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -87.93 84.68 6.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.533 . . . . 0.0 110.348 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -101.29 119.98 39.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.119 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.97 67.41 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.222 0.534 . . . . 0.0 110.093 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.32 89.51 5.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.819 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -70.22 138.07 51.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.722 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -76.55 62.67 1.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.374 0.607 . . . . 0.0 111.337 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.4 tp -120.33 112.46 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -133.53 157.48 45.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.947 0.404 . . . . 0.0 110.905 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -103.44 16.85 25.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.044 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.006 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -67.81 138.87 56.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 0.0 110.779 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -139.55 168.58 19.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.262 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.5 ttm -80.47 124.67 29.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.113 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.58 163.73 14.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.453 HG21 ' H ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -83.67 -167.99 1.94 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.794 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' H ' HG21 ' A' ' 6' ' ' THR . 60.6 pttt -73.72 156.75 37.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.114 0.483 . . . . 0.0 110.502 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.34 152.47 21.04 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.298 -179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -97.2 -63.2 1.15 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.223 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -122.96 137.14 55.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.38 162.55 29.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.711 0.291 . . . . 0.0 111.049 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -160.96 131.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.829 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -155.25 139.93 17.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mt -132.06 104.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -94.34 108.92 20.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.22 31.97 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.67 -85.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.255 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -105.34 15.71 26.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.332 0.587 . . . . 0.0 110.181 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.414 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m120 -119.53 178.55 4.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.301 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.24 -80.9 0.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.389 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 60.8 tp -171.52 98.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.226 0.536 . . . . 0.0 110.747 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.86 104.27 11.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.02 139.8 50.67 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.003 0.43 . . . . 0.0 110.515 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -139.56 123.1 17.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.377 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 tp -129.73 135.76 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.817 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -124.91 63.54 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.33 109.65 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.122 0.487 . . . . 0.0 110.18 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.61 146.17 24.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.766 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.5 m 64.79 34.84 9.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.514 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -132.62 166.49 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.842 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -90.7 118.42 30.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -89.82 28.41 1.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.685 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.19 -39.28 63.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.751 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.6 mt -70.66 -31.7 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.39 -46.26 20.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.462 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.36 -41.5 89.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.279 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.62 -50.3 61.17 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.911 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.73 -39.54 84.26 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.9 -55.41 35.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.58 -42.14 95.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.004 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.0 ttt -60.18 -57.94 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.868 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.04 -39.34 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 m -51.63 -39.89 58.9 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mt -97.44 -22.94 4.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.674 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 -63.09 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.88 125.02 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 111.619 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -135.71 24.05 3.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.67 0.748 . . . . 0.0 109.316 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.72 84.49 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.235 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.97 -47.62 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.342 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.09 -32.34 7.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.049 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.15 -45.02 4.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.42 83.17 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.27 115.84 2.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 0.0 112.231 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -96.83 112.48 24.21 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.699 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.559 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 17.4 mt -115.18 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.562 0.696 . . . . 0.0 109.608 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -101.7 98.75 8.99 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.063 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -85.84 95.19 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.506 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.409 ' CD2' HG22 ' A' ' 89' ' ' ILE . 28.8 m170 -104.07 96.37 6.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -104.22 98.98 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 68.84 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD13 HH11 ' A' ' 64' ' ' ARG . 8.7 mt -83.25 -14.06 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.532 -178.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.79 -135.05 28.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.69 20.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.468 HH11 HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.51 -37.07 77.34 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 179.42 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.2 t80 62.02 86.44 0.11 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.658 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.43 HD11 ' CZ ' ' A' ' 64' ' ' ARG . 58.2 tp -103.52 160.1 15.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.528 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -76.77 68.12 2.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -34.61 14.22 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.063 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -30.08 70.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.082 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 7.0 mm100 -69.84 -39.61 76.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.608 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 4.2 mp0 -72.94 -37.22 67.23 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 35.5 tt0 -63.99 -46.54 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.653 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.8 pp0? -56.29 -31.12 63.34 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.7 pp -87.28 -22.0 25.44 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.603 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.7 m -81.46 -20.5 40.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.187 0.518 . . . . 0.0 110.005 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 25.7 mm-40 -56.98 -27.58 61.52 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.913 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.64 -40.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.57 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.83 -32.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.069 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.68 -24.9 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.205 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m -59.85 -27.95 67.09 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.008 0.433 . . . . 0.0 111.412 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -152.05 57.45 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.787 0.803 . . . . 0.0 109.175 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -77.87 79.06 4.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.167 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -81.87 -18.41 43.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.751 0.786 . . . . 0.0 109.38 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.45 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.31 167.95 20.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.511 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -84.1 73.55 10.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.454 0.645 . . . . 0.0 110.186 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 13.7 p -93.16 141.93 13.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.457 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -155.14 86.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.997 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 m -98.26 116.76 31.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.409 HG22 ' CD2' ' A' ' 58' ' ' HIS . 12.5 tt -142.76 146.1 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.801 0.334 . . . . 0.0 110.14 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -117.03 -146.13 0.4 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.61 81.15 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 118.365 0.53 . . . . 0.0 110.931 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -83.58 99.32 10.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.606 0.717 . . . . 0.0 110.603 179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.403 HG11 HG23 ' A' ' 94' ' ' ILE . 2.3 p -65.57 -35.12 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.784 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.403 HG23 HG11 ' A' ' 93' ' ' VAL . 5.3 tt -141.97 121.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.157 0.504 . . . . 0.0 110.316 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.06 82.19 4.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.237 0.541 . . . . 0.0 109.775 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -90.02 159.72 16.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.403 ' HE2' ' OE2' ' A' ' 98' ' ' GLU . 1.2 tpmt? -79.81 139.17 37.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.242 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.403 ' OE2' ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -81.93 48.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.319 0.58 . . . . 0.0 110.235 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.53 59.61 4.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.232 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -115.05 126.42 54.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -76.5 81.27 3.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.436 0.636 . . . . 0.0 110.221 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.7 tp -128.23 137.15 58.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.348 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -157.74 107.45 2.14 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.99 23.14 2.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.114 0.483 . . . . 0.0 110.726 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.345 179.84 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.039 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -101.59 170.53 8.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.51 0.195 . . . . 0.0 110.673 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -75.52 137.55 40.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 0.0 111.089 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -176.95 4.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.247 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -71.63 154.45 41.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.258 0.551 . . . . 0.0 111.229 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.69 167.22 14.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.2 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -55.61 151.62 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.19 0.519 . . . . 0.0 112.202 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.49 168.36 19.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.125 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.71 -73.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.608 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -109.3 162.83 13.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.251 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -162.3 163.96 27.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.734 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.91 136.67 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.017 0.437 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -132.32 135.16 46.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mt -133.59 93.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.265 0.555 . . . . 0.0 109.7 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -87.97 110.45 20.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.613 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.37 30.43 2.42 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.172 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.15 115.5 30.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.473 0.178 . . . . 0.0 111.188 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.76 43.41 30.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.12 -154.41 0.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.781 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 47' ' ' TYR . . . -99.73 -83.99 1.77 Allowed Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.95 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 37.0 tp -168.96 94.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.036 0.446 . . . . 0.0 110.73 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.49 99.44 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.896 0.379 . . . . 0.0 109.983 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.64 152.9 40.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.081 0.467 . . . . 0.0 111.182 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -151.45 120.14 6.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.699 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.8 127.31 51.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.7 73.32 1.12 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -144.34 138.51 27.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.03 147.32 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m 61.55 25.76 15.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.91 -1.041 . . . . 0.0 113.067 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -114.68 167.49 10.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.55 0.214 . . . . 0.0 110.542 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -77.08 146.16 37.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -126.42 16.28 7.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.03 -37.82 75.07 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.243 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.51 -38.71 65.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 109.991 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.12 -48.26 82.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.564 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 15.5 t0 -62.65 -47.13 85.05 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.148 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.75 -25.48 58.89 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.952 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -81.65 -51.46 8.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.613 0.244 . . . . 0.0 110.852 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -68.36 -34.58 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.628 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -74.22 -6.37 47.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 111.302 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 ttm -114.41 -49.12 2.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.517 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.27 -33.46 71.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -65.86 -11.41 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.116 0.26 . . . . 0.0 111.441 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -115.09 -30.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.109 0.481 . . . . 0.0 110.144 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.07 -58.31 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.761 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.45 99.54 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.423 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 3.8 p90 -133.66 23.15 3.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.547 0.689 . . . . 0.0 109.227 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 102.59 12.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.995 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 38.8 t70 -120.27 -177.5 3.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -76.11 56.07 3.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 62.78 26.29 15.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.275 0.63 . . . . 0.0 111.506 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.5 22.35 3.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.133 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.73 125.26 23.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.383 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -100.32 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.083 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 44.2 mt -112.77 88.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -121.3 103.67 9.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -85.93 95.59 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.601 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -94.12 83.2 4.24 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.982 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.8 74.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.12 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -85.75 62.02 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.546 0.688 . . . . 0.0 109.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.29 -25.41 46.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.202 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.64 -128.97 8.82 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.4 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -77.96 28.67 0.17 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.59 -25.7 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 58.93 64.38 1.43 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.081 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.7 tp -81.91 146.85 29.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.907 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -79.64 70.59 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -15.48 2.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.75 -22.57 65.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.001 0.429 . . . . 0.0 110.115 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.64 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 5.3 mm100 -73.8 -53.1 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.396 0.617 . . . . 0.0 109.519 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 24.2 mp0 -65.54 -34.0 77.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.194 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 tp10 -59.01 -46.75 87.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 7.9 pt20 -62.08 -36.76 82.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -80.15 -30.61 38.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.506 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -70.91 -27.72 64.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 47.2 mm-40 -55.62 -31.7 62.5 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.128 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.91 -46.35 88.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.17 0.509 . . . . 0.0 110.206 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.91 -32.92 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.025 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.558 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -63.27 -20.53 65.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.702 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.5 m -66.59 -24.78 66.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.172 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.31 60.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.279 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 1.1 pttt -74.27 75.02 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.56 0.695 . . . . 0.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -86.11 -32.41 21.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.941 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.417 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -72.88 167.51 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.597 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.95 73.84 6.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 109.618 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 14.4 p -109.13 134.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.175 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.27 117.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.367 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.3 m -108.9 146.26 34.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.7 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -153.86 138.74 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.966 0.412 . . . . 0.0 110.57 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -122.55 -176.41 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.655 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -125.68 45.76 2.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.811 0.339 . . . . 0.0 111.017 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.14 -172.36 0.41 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.358 0.599 . . . . 0.0 111.103 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.99 136.33 58.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.743 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.98 122.08 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.257 0.551 . . . . 0.0 110.068 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -121.93 104.02 9.24 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.456 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -93.21 74.37 4.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.003 0.43 . . . . 0.0 109.919 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -169.24 137.15 1.88 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.03 53.24 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 110.537 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.43 -1.98 58.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.758 0.313 . . . . 0.0 111.515 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -81.01 122.38 27.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.067 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -82.28 98.4 8.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.7 tp -141.05 146.54 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.451 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -138.9 151.33 46.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.16 16.05 10.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.362 0.601 . . . . 0.0 109.504 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.246 0.884 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.011 -179.451 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.634 -0.186 . . . . 0.0 112.634 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -90.53 -40.85 11.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.938 0.399 . . . . 0.0 110.579 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -161.25 162.02 30.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.168 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.1 mtp -110.08 148.9 30.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.808 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -136.77 149.6 47.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.231 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.93 -173.65 2.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.058 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -79.29 162.85 25.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 154.15 25.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.035 0.445 . . . . 0.0 110.911 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -102.91 -51.24 3.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.432 0.634 . . . . 0.0 109.803 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -117.54 101.77 8.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.375 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -121.74 162.62 20.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.879 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.39 144.28 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.461 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -138.03 134.1 34.38 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -131.96 99.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.001 0.429 . . . . 0.0 110.554 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -93.15 98.48 11.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.34 87.82 0.27 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.777 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -175.25 111.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 61.44 40.74 13.6 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.642 0.734 . . . . 0.0 110.776 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -161.03 -157.19 0.5 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.77 -87.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.905 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 55' ' ' ILE . 19.4 tp -161.82 95.91 1.0 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 97.0 6.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.213 0.53 . . . . 0.0 109.965 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -128.96 152.32 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -147.69 123.65 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -116.26 136.07 53.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.75 70.71 1.07 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.187 0.518 . . . . 0.0 110.882 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.547 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t0 -129.02 176.63 7.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.576 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.19 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.334 -0.246 . . . . 0.0 110.334 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t 64.2 14.42 8.62 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.849 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.53 -174.29 2.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -120.79 119.73 33.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' OD2' HD21 ' A' ' 61' ' ' LEU . 1.6 m-20 -74.3 37.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.5 -44.27 96.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.67 0.271 . . . . 0.0 110.865 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.8 -33.03 70.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.528 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.08 -49.45 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.373 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.14 -40.11 80.48 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.595 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.66 75.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.314 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.39 -38.64 68.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 110.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -54.57 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -24.93 64.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.234 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.11 -57.52 3.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.35 -39.42 83.18 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 m -60.1 -25.74 65.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mt -106.3 -20.67 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.241 0.544 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -83.81 -46.45 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.631 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -153.46 96.57 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.161 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -120.91 8.81 10.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.191 0.52 . . . . 0.0 110.434 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -126.3 118.37 24.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.396 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -104.38 -60.65 1.56 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.99 -28.53 5.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.736 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -103.92 -29.19 11.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.076 0.465 . . . . 0.0 109.964 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.6 80.73 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.301 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -65.81 110.08 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.065 0.459 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -85.08 112.43 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.644 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 mt -114.63 91.18 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.211 0.529 . . . . 0.0 109.955 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -121.07 115.24 22.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.937 0.399 . . . . 0.0 110.531 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 t -106.08 101.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.608 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -110.09 94.81 5.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.23 87.78 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.418 0.628 . . . . 0.0 110.139 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -85.78 63.62 8.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.673 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 14.5 mt -86.57 -54.12 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.143 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.76 -113.76 4.82 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.951 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.87 29.92 0.2 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.43 ' HG2' HD13 ' A' ' 61' ' ' LEU . 6.3 tpm_? -81.38 -35.5 30.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 58.06 48.3 13.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.516 0.674 . . . . 0.0 109.989 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.16 144.23 57.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.207 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -77.33 71.81 3.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.858 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.601 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 2.2 pttt -54.06 -17.82 3.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.443 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.073 0.463 . . . . 0.0 110.046 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 16.4 mm100 -68.6 -36.39 78.62 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.168 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.601 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 17.2 mp0 -83.85 -36.78 23.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.419 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -61.55 -42.14 98.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.454 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.7 pp0? -57.93 -36.32 72.34 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 1.9 pp -83.77 -33.18 25.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.217 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.7 m -65.95 -31.66 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.483 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -56.61 -27.61 58.59 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.594 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.5 -37.93 88.23 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.473 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.81 -16.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.212 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.589 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -69.33 -11.79 61.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 111.241 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.88 37.9 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.966 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -75.62 52.23 0.64 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.086 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.74 -23.57 53.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.86 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.429 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -70.47 173.22 7.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.874 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -81.9 69.74 8.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.041 0.448 . . . . 0.0 110.037 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.644 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.4 p -108.38 126.64 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.341 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.52 103.36 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -97.58 130.06 44.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.358 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.3 tt -138.68 137.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -114.85 -168.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -131.78 42.32 3.18 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.48 173.15 6.23 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.876 0.37 . . . . 0.0 111.277 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.21 -12.5 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.148 0.499 . . . . 0.0 110.592 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 tp -161.25 121.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.08 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 t -84.33 179.91 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.02 0.438 . . . . 0.0 111.113 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' HZ1' ' CD ' ' A' ' 98' ' ' GLU . 23.0 pttp -109.34 159.2 17.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 0.0 111.111 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -148.13 101.41 3.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.873 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.426 ' CD ' ' HZ1' ' A' ' 96' ' ' LYS . 6.1 mp0 -82.64 53.71 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.107 0.479 . . . . 0.0 111.703 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.96 88.82 3.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -117.85 150.21 39.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.918 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -85.26 85.67 7.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.273 0.559 . . . . 0.0 110.367 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 tp -145.95 123.82 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.589 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -141.23 148.76 40.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.277 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -112.49 33.44 4.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.432 0.634 . . . . 0.0 109.955 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.666 -179.839 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -80.24 140.45 36.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.617 -0.343 . . . . 0.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -110.26 173.03 6.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.382 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.4 mtt -130.58 174.79 9.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.39 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -71.21 132.79 45.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.935 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -51.18 58.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.961 0.41 . . . . 0.0 110.509 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -149.23 159.46 44.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.896 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.52 154.28 44.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.081 0.467 . . . . 0.0 110.932 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -93.87 -43.1 8.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.049 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -102.06 136.6 41.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.712 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -159.03 177.52 11.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.927 0.394 . . . . 0.0 111.473 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.24 143.22 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -146.16 134.79 22.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mt -134.92 116.79 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -127.53 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.905 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.19 45.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.653 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -94.76 -33.68 12.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 111.593 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -132.35 9.59 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.089 0.471 . . . . 0.0 110.951 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -136.24 -177.17 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.27 -86.03 0.03 OUTLIER Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.004 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.4 tp -170.7 109.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.891 0.376 . . . . 0.0 110.984 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.69 102.02 8.54 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.77 149.72 45.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.37 . . . . 0.0 110.984 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -155.63 125.58 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.436 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 tt -131.79 129.9 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -122.05 82.33 1.94 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.52 0.2 . . . . 0.0 110.785 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -158.28 126.48 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 110.393 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.23 159.0 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.142 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 m 68.96 11.07 8.24 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.242 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -115.57 166.93 11.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.1 140.17 30.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.479 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 19.78 10.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.916 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.38 -36.57 80.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -73.74 -14.58 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.04 -49.01 6.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 21.7 t0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.34 59.99 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.84 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.17 -30.77 27.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -57.77 -47.65 81.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.343 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -8.88 59.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.375 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 ttt -90.84 -59.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.59 -39.51 80.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -57.56 -42.02 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.126 0.489 . . . . 0.0 111.221 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.3 -34.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.11 -59.1 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.506 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.05 105.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.953 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -109.78 20.3 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.492 0.663 . . . . 0.0 109.24 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.62 103.68 13.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -127.21 124.13 38.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.48 -12.12 84.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.329 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -96.25 0.03 50.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.015 0.436 . . . . 0.0 109.865 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.13 95.85 2.41 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.42 99.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.0 111.837 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -89.99 112.14 23.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.936 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 63.5 mt -106.58 95.99 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 m -114.12 105.04 12.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.132 0.492 . . . . 0.0 111.762 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.7 t -91.24 88.39 2.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -93.74 85.76 4.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 111.105 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.86 68.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.624 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -83.77 59.41 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.329 0.585 . . . . 0.0 109.688 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.98 -68.54 0.54 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.745 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 64' ' ' ARG . . . 130.08 -141.23 12.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.54 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.31 30.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -81.22 -9.54 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.8 t80 65.98 80.06 0.23 Allowed 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.684 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.5 156.55 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.279 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.19 94.6 5.1 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.838 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.52 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -59.86 -18.71 46.38 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.902 0.382 . . . . 0.0 110.453 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.515 ' OE2' ' HE3' ' A' ' 68' ' ' LYS . 55.8 mm-40 -63.59 -35.08 79.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.491 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.34 -45.37 73.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.796 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' ' HA ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -67.47 -44.24 79.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.122 0.487 . . . . 0.0 109.691 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 18.0 tt0 -56.85 -52.24 65.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.639 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -59.44 -39.86 84.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -75.11 -31.96 61.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.002 0.43 . . . . 0.0 110.473 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -71.09 -32.79 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.576 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 9.1 mm-40 -52.12 -29.42 21.71 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.23 -37.59 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.831 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.43 -18.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.164 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.49 71.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -25.08 67.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.44 0.638 . . . . 0.0 110.938 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -136.56 53.4 1.92 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -73.83 56.19 0.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.726 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.66 -29.49 51.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -69.85 152.02 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.558 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.33 86.22 6.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.185 0.517 . . . . 0.0 110.742 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 12.3 p -103.91 138.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -156.08 104.85 2.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 m -103.57 155.23 18.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 tt -155.37 117.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.346 0.593 . . . . 0.0 109.751 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.98 -174.53 2.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.017 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m -137.94 74.56 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -86.14 168.96 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.378 0.608 . . . . 0.0 111.276 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 p -121.36 125.14 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.185 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.7 mt 69.89 84.63 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.484 0.659 . . . . 0.0 110.339 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.12 146.88 41.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.936 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -104.47 173.04 6.48 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -99.64 144.21 28.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.539 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -83.72 67.03 9.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.259 0.552 . . . . 0.0 110.689 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.32 72.42 9.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.638 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -140.64 142.52 34.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.293 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -91.39 76.45 5.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.279 0.561 . . . . 0.0 109.98 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.3 tt -109.03 135.49 47.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.333 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -144.83 120.8 10.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -92.19 21.33 5.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.59 0.709 . . . . 0.0 110.663 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.198 179.581 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -67.61 109.56 3.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.855 0.36 . . . . 0.0 111.115 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -132.17 144.19 50.5 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -71.15 145.86 49.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.765 0.316 . . . . 0.0 110.998 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -85.38 118.91 25.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -61.63 2.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.034 0.445 . . . . 0.0 111.295 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -161.14 176.86 10.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.013 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.33 172.7 12.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.477 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -86.12 -42.17 14.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.073 0.463 . . . . 0.0 110.371 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -91.11 124.63 35.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.253 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -158.42 -178.99 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -145.71 138.28 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.259 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -133.45 134.39 43.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.965 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.57 124.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.566 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 23.8 pttt -138.66 135.79 35.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.147 0.499 . . . . 0.0 110.239 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.41 31.43 0.58 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.231 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -95.16 115.1 26.99 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.623 -0.34 . . . . 0.0 110.409 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 mttp 62.66 15.55 8.13 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.826 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.549 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 4.8 m120 -130.58 177.78 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.274 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.86 -84.83 0.21 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.538 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.8 tp -170.36 109.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.967 0.413 . . . . 0.0 110.631 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -127.51 112.96 15.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.861 0.363 . . . . 0.0 110.514 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.84 153.4 45.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.431 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -150.82 128.16 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.17 129.01 51.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.27 103.14 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.406 0.146 . . . . 0.0 111.191 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.591 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.5 t70 -166.05 -165.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -162.85 142.79 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.65 31.87 21.16 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 110.695 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 m -122.23 156.3 34.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.44 156.85 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.398 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -105.68 17.89 23.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.74 -42.2 67.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -87.37 1.29 53.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.382 . . . . 0.0 111.134 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -103.33 -50.83 3.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.962 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 6.4 t70 -57.36 -48.14 79.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.722 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.55 -28.98 38.65 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.191 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.647 0.261 . . . . 0.0 110.795 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -62.36 -35.99 80.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.598 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 3.4 t-20 -63.77 -54.11 40.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.03 -41.32 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.0 mt -59.6 -43.68 93.64 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m -65.46 -14.28 60.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.783 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.39 -43.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.445 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -73.53 -35.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.55 97.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -114.62 8.39 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.627 0.727 . . . . 0.0 109.329 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.27 90.16 5.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.549 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 2.8 t70 -69.09 -54.06 16.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.05 -28.11 8.2 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.15 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -118.6 -52.1 2.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 0.0 110.487 -178.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.85 81.59 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 98.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.274 0.559 . . . . 0.0 111.868 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -87.33 101.53 13.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.42 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 32.2 mt -102.82 75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.5 m -111.46 97.85 7.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.015 0.436 . . . . 0.0 112.075 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.88 89.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -99.73 99.5 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.76 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.5 153.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.889 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 71.9 1.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.322 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.591 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 17.4 mt -106.77 -52.44 2.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.568 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 85.15 -86.41 1.56 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.735 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -84.38 46.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.256 0.55 . . . . 0.0 110.891 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -22.8 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.951 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 49.0 48.38 20.8 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.48 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 tp -99.27 137.39 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -67.87 116.59 8.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.74 63.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 110.317 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -64.36 -29.77 70.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.073 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.3 mm100 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.821 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 34.3 mt-10 -73.63 -38.9 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.89 -44.62 96.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.858 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.9 pt20 -62.48 -23.82 67.13 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -177.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -95.99 -35.66 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.245 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -73.21 -20.11 60.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.44 -36.11 61.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.787 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.61 -26.27 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -97.21 -31.18 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.584 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -56.26 -32.16 64.25 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -14.7 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.836 0.35 . . . . 0.0 111.323 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -144.45 38.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 110.044 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 21.6 pttp -81.02 52.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.52 0.676 . . . . 0.0 110.991 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.41 4.78 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.226 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -96.67 172.93 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.03 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -82.71 62.43 6.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -97.29 138.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 107.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -103.11 148.62 25.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.277 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.4 tt -170.61 155.61 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.62 159.34 40.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.479 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -78.17 58.26 2.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.984 0.421 . . . . 0.0 111.156 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HB2' ' HG1' ' A' ' 95' ' ' THR . 0.0 OUTLIER -60.36 141.44 56.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.81 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.2 p -102.0 77.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.827 0.823 . . . . 0.0 110.979 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.6 mt 55.92 64.25 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.677 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.517 ' HG1' ' HB2' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -87.41 62.12 6.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.445 0.64 . . . . 0.0 110.762 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -98.25 106.15 18.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.049 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -151.34 131.76 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -90.52 82.08 5.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.332 0.587 . . . . 0.0 110.388 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.38 84.52 7.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.715 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -74.62 105.31 5.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -71.99 93.69 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.235 0.54 . . . . 0.0 111.102 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.7 tt -145.53 131.42 13.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.53 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.44 ' HD3' ' OE2' ' A' ' 105' ' ' GLU . 1.6 mmp_? -129.98 146.35 51.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.742 0.306 . . . . 0.0 110.631 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -94.87 -23.46 17.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.309 0.576 . . . . 0.0 110.165 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' OE2' ' HD3' ' A' ' 103' ' ' ARG . 1.8 pm0 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.75 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -74.49 104.43 5.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.137 0.494 . . . . 0.0 111.36 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -129.17 153.12 48.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.829 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -89.15 150.14 22.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.798 0.332 . . . . 0.0 110.401 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -81.15 109.8 16.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.419 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -59.38 3.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.691 0.282 . . . . 0.0 110.422 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -165.19 173.18 11.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.206 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 170.58 17.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -90.02 -46.65 8.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.27 113.67 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.641 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -157.33 176.49 12.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.464 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.15 148.26 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -144.82 131.87 20.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mt -138.68 120.71 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.979 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -131.81 137.92 48.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.529 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -164.43 48.18 0.3 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.026 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 t -100.36 108.36 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.631 -0.334 . . . . 0.0 110.263 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt 64.42 14.08 8.57 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.888 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.526 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 15.5 m120 -127.87 -179.32 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.05 -95.88 0.03 OUTLIER Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.58 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 39' ' ' GLN . 30.7 tp -168.11 101.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.202 0.525 . . . . 0.0 110.449 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -116.52 116.81 28.32 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -143.5 154.46 43.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.957 0.408 . . . . 0.0 110.597 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -152.21 135.9 16.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.115 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.55 124.42 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.067 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -105.7 108.5 20.05 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t70 -170.25 -167.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -167.38 140.51 3.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.562 0.22 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m 62.62 23.56 14.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.43 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.82 167.63 10.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.44 144.06 26.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.469 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -108.72 16.67 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.23 -36.93 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 111.601 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.81 -20.79 61.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.203 0.525 . . . . 0.0 110.386 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tp -85.56 -43.27 13.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.592 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 11.0 t70 -59.47 -47.3 86.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.53 59.54 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.602 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.16 -53.23 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 111.211 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -64.2 -37.98 89.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.608 -178.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -63.92 -49.31 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.2 ttt -62.1 -49.42 75.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.089 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.86 -47.86 84.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 m -65.3 -12.86 55.98 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -92.29 -48.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.0 -27.7 16.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.2 85.04 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.132 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -120.31 11.77 11.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.043 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 m -101.04 99.83 10.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 5.5 t70 -83.04 -44.48 15.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.405 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.8 -43.57 1.65 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.659 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -99.82 -45.13 5.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.366 0.603 . . . . 0.0 110.046 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.48 92.21 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.404 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.07 94.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.109 0.48 . . . . 0.0 110.972 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -78.71 90.62 4.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.071 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 43.8 mt -96.05 85.64 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 m -118.2 100.46 7.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.151 0.501 . . . . 0.0 111.765 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.69 93.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -100.13 97.09 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.507 -178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -94.78 135.97 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.45 60.66 0.94 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 36.0 mt -100.87 -49.7 4.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.111 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 87.79 -96.55 2.19 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.687 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -87.11 60.24 6.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.745 0.784 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 17.4 ptt-85 -84.23 -18.97 34.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.537 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.1 t80 50.58 57.71 6.31 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.9 tp -114.53 142.08 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.5 121.06 21.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -25.23 68.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.126 0.489 . . . . 0.0 110.291 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.49 -35.48 76.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.005 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 17.1 mm100 -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 8.9 mt-10 -85.57 -43.26 13.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.707 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.75 -34.07 75.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 22.5 pt20 -60.07 -35.89 76.17 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.1 pp -88.79 -25.08 22.44 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.6 m -69.8 -21.59 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.675 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.23 -31.39 63.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.308 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.52 -29.62 68.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.303 0.573 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.27 -26.86 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.708 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -27.26 62.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 p -73.33 -16.66 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 0.0 110.731 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -145.79 42.3 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.389 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -84.07 46.78 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.313 0.578 . . . . 0.0 111.11 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.05 -0.62 57.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.884 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -92.24 175.84 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.025 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.64 73.94 6.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -110.44 125.33 67.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -152.54 113.54 4.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -106.16 141.81 36.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tp -160.34 146.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.461 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.59 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 29.1 t0 -127.57 165.9 19.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.513 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.9 m -81.31 43.94 0.76 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.489 ' HB2' ' OG1' ' A' ' 95' ' ' THR . 0.8 OUTLIER -59.01 140.78 55.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.077 0.465 . . . . 0.0 110.998 -179.354 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.9 p -101.33 79.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.342 0.592 . . . . 0.0 111.315 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.8 mt 49.74 56.42 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.4 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -82.49 74.07 9.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.67 -179.573 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -104.01 72.17 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.123 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -98.91 134.94 41.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.26 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -81.74 71.95 8.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.23 0.538 . . . . 0.0 109.812 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.7 85.15 2.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.201 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -87.97 107.4 18.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.63 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -73.74 100.01 3.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.156 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 tt -149.03 136.36 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.3 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.96 145.55 46.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.16 33.44 5.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.928 0.87 . . . . 0.0 108.715 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.991 -179.535 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -77.88 153.93 32.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -131.25 122.37 26.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.748 0.309 . . . . 0.0 110.776 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 43.2 mtt -73.93 172.47 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.723 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -91.66 128.69 37.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.971 0.415 . . . . 0.0 111.016 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.84 174.29 5.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -74.0 162.43 29.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.798 0.333 . . . . 0.0 110.614 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 173.0 12.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.491 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -88.27 -62.04 1.58 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.281 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 19.8 pt20 -94.23 143.42 26.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -167.53 -169.88 1.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.241 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.17 143.9 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.465 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -152.44 139.93 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.406 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.8 127.16 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.159 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.93 106.26 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.396 . . . . 0.0 110.112 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.83 79.8 0.19 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -130.88 -69.87 0.63 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.755 0.312 . . . . 0.0 111.46 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -110.29 40.42 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.746 0.784 . . . . 0.0 109.147 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -158.68 -162.79 1.15 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.704 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.52 -95.18 0.32 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.045 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HB3' HG23 ' A' ' 55' ' ' ILE . 29.7 tp -163.17 101.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.284 0.564 . . . . 0.0 110.308 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.31 101.25 8.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.925 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -133.9 154.41 51.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.79 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -153.45 128.36 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.584 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -116.39 132.63 56.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -123.52 76.4 1.41 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.41 127.65 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.057 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.98 153.96 19.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.558 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.7 m 62.21 27.04 16.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.653 0.381 . . . . 0.0 111.528 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.9 m -127.4 158.81 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -92.38 128.23 38.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.007 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.52 34.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.401 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -60.15 -35.43 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.296 0.569 . . . . 0.0 110.567 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.23 -3.5 57.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.95 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -103.98 -52.83 2.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.501 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.59 78.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.291 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.46 99.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.3 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.54 -31.56 32.65 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.702 -0.293 . . . . 0.0 110.558 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -54.47 46.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.148 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.61 -34.95 76.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.8 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.3 tpp -61.73 -56.23 21.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.697 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.37 -36.52 84.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -61.35 -21.44 64.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 111.51 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -104.59 -34.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 110.348 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.96 -57.65 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.495 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -155.42 118.0 4.23 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.064 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -145.97 26.33 1.24 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.43 0.633 . . . . 0.0 109.539 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -104.16 84.11 2.18 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.655 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 25.8 t0 -96.04 145.58 25.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.076 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -95.65 -7.98 58.63 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HZ1' ' CG ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -107.0 18.05 22.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.98 0.419 . . . . 0.0 109.907 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.58 91.68 1.1 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.009 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.64 117.75 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.166 0.507 . . . . 0.0 111.795 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -93.41 107.59 19.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.9 mt -112.02 67.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.481 0.657 . . . . 0.0 109.821 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -95.93 90.68 5.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.188 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 88' ' ' SER . 41.7 t -81.43 102.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.897 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -106.52 93.62 4.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -95.64 82.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.211 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -94.37 74.87 3.89 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HB2' ' OE2' ' A' ' 92' ' ' GLU . 1.4 mt -81.71 -65.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.977 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.606 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 130.87 -79.69 0.36 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.676 -0.774 . . . . 0.0 113.046 178.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.6 35.96 3.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 110.961 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -23.46 26.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 t80 69.57 70.13 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.101 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' H ' ' HG3' ' A' ' 92' ' ' GLU . 10.6 tp -69.44 141.22 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.29 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -85.0 93.82 8.67 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -28.09 68.46 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.88 -35.47 76.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.0 110.147 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -71.52 -36.37 71.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.19 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.599 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 7.7 mm-40 -78.34 -38.56 41.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.44 0.638 . . . . 0.0 110.524 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.3 tt0 -61.7 -48.32 81.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.636 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -32.16 65.66 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -85.59 -32.52 22.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -70.18 -26.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.48 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 7.3 mm-40 -51.98 -37.33 52.73 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.376 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.73 -49.75 75.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.02 -29.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.25 56.15 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.843 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -142.87 50.42 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.959 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -78.75 59.51 2.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.465 0.65 . . . . 0.0 111.468 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -77.31 -16.25 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.741 0.782 . . . . 0.0 109.226 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.514 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -75.61 167.8 21.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.853 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.8 68.39 10.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 0.0 109.936 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 2.9 p -96.65 119.84 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.622 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -140.84 94.68 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.138 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -95.89 129.68 43.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.109 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 89' ' ' ILE . 18.9 tt -148.94 135.28 12.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.978 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.496 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.2 p-10 -104.5 -176.55 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.894 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -139.0 32.5 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.603 0.24 . . . . 0.0 110.763 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.606 ' HA ' ' O ' ' A' ' 62' ' ' GLY . 8.2 mm-40 -87.56 -177.3 5.85 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.02 0.438 . . . . 0.0 111.04 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -114.94 132.06 65.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.085 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 42.7 mm -94.6 108.83 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.117 0.484 . . . . 0.0 111.075 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 t -138.09 174.73 10.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.637 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -84.94 118.45 24.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.728 0.299 . . . . 0.0 110.63 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -146.16 137.25 24.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -84.59 62.16 7.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.434 0.635 . . . . 0.0 110.324 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.78 75.53 6.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.261 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -79.42 136.85 37.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.798 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -75.86 78.1 2.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.245 0.545 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.6 tp -139.36 94.61 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.619 0.723 . . . . 0.0 110.506 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.67 138.22 32.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.647 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -91.08 13.13 17.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 110.576 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.534 -179.33 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.997 -0.441 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -76.71 160.16 29.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.99 0.424 . . . . 0.0 110.947 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -114.44 150.15 35.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.953 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.5 mmt -94.2 147.5 23.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.012 0.434 . . . . 0.0 110.708 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -90.69 93.94 9.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -74.33 -49.08 24.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.273 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -136.71 169.97 16.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.84 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.07 149.02 49.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.949 0.404 . . . . 0.0 110.648 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -88.79 -54.42 4.15 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.53 111.69 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.128 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.71 153.64 20.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.4 136.23 5.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.238 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 t -153.45 143.37 22.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.95 110.75 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -109.58 122.93 48.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.88 77.84 0.1 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.824 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 t -144.72 -48.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.61 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -107.88 -9.41 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 110.74 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -126.15 -158.62 0.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.96 -106.96 0.12 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.525 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.3 tp -148.84 105.18 3.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.121 0.486 . . . . 0.0 110.385 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -119.49 107.94 13.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.141 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.43 151.82 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.898 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 6.3 t-80 -152.02 128.17 10.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.501 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -126.91 133.84 50.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.14 60.21 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.806 ' OD2' ' HB2' ' A' ' 30' ' ' SER . 2.1 t70 -123.95 141.52 51.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.15 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.75 147.76 48.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.465 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.0 m 73.99 -29.44 0.2 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.679 0.792 . . . . 0.0 112.382 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.806 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 3.6 m -81.51 176.14 9.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -108.68 145.5 34.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 15.3 p-10 -100.75 49.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.983 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -33.37 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.512 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.73 -15.86 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.4 . . . . 0.0 111.27 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 11.7 tp -85.52 -52.67 5.68 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.694 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -32.41 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.561 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -50.75 61.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.016 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.3 -35.81 71.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.713 0.292 . . . . 0.0 110.389 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -54.84 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.07 -39.31 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.462 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -56.75 14.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.14 -36.32 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 t -64.85 -24.36 67.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -103.08 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 110.774 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -73.07 -66.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.232 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.14 118.32 3.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.826 0.346 . . . . 0.0 111.437 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -134.24 24.66 3.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.8 0.809 . . . . 0.0 109.117 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.33 90.74 8.19 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.809 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.61 -67.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.734 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.96 -40.82 1.92 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.296 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.4 0.619 . . . . 0.0 110.85 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.39 79.16 0.05 OUTLIER Glycine 0 C--N 1.314 -0.64 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 119.39 7.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.061 0.458 . . . . 0.0 111.534 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -94.19 102.56 14.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.8 mt -102.61 72.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -108.55 107.13 17.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.795 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -91.54 100.26 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.408 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 55.8 m170 -99.23 89.38 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.02 0.438 . . . . 0.0 110.573 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -96.7 74.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.476 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -79.57 64.34 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 110.101 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.56 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 8.5 mt -74.67 -75.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.621 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.57 -121.68 3.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.758 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -81.42 22.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.039 0.447 . . . . 0.0 111.064 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -65.89 -36.64 83.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.965 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 t80 54.56 66.1 1.33 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.479 0.657 . . . . 0.0 110.29 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.09 157.8 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.86 84.41 2.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.245 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.448 ' C ' ' HD2' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -51.74 -42.56 62.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.38 -179.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -60.87 -28.62 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.585 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.4 mm100 -72.95 -38.47 66.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.679 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 22.3 mm-40 -79.78 -30.2 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.266 0.555 . . . . 0.0 109.826 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.1 tp10 -62.68 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 18.6 pt20 -59.48 -34.64 72.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.555 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.3 pp -81.34 -31.01 33.64 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.103 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -67.04 -31.68 72.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.795 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 11.2 mm-40 -53.52 -35.36 60.58 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.887 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.62 -48.13 82.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.597 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.38 -28.73 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.592 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.86 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.591 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 m -70.75 -21.93 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -149.1 53.34 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.523 0.678 . . . . 0.0 109.759 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -80.35 60.97 3.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.82 -27.96 36.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.326 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.441 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -75.66 173.88 10.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.54 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -83.81 69.38 10.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 0.0 110.551 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -96.15 125.57 48.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.358 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -154.39 109.82 3.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.85 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -107.12 134.96 49.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.164 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.79 131.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.976 0.417 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.3 p-10 -113.76 -161.57 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.8 t -132.2 36.89 3.6 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.2 153.59 14.8 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 p -96.12 -41.65 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.171 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.7 pt -135.91 140.86 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.81 0.338 . . . . 0.0 110.591 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -102.89 130.58 49.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -138.76 172.45 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -117.08 156.12 28.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.82 93.44 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 111.192 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.57 65.22 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -72.85 123.26 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.122 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -82.34 85.03 6.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.348 0.594 . . . . 0.0 109.846 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 tt -122.72 126.14 73.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.045 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -129.15 117.0 20.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.262 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -89.49 -11.14 43.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.362 0.601 . . . . 0.0 109.614 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.013 179.279 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 112.17 -0.372 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m 69.68 89.44 0.1 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.261 0.553 . . . . 0.0 111.224 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -107.08 157.34 17.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.793 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.0 mtt -100.86 -179.75 4.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.594 0.235 . . . . 0.0 110.582 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -82.54 155.78 24.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.014 0.435 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -177.92 5.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.93 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -68.68 170.36 9.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.031 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.29 162.14 35.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.292 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -95.77 -44.01 7.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -103.21 125.64 49.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.068 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -165.1 -179.78 5.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.395 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -137.3 147.62 26.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.444 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -145.45 137.09 25.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.9 mt -139.22 119.42 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.298 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -120.26 118.32 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.56 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -130.26 28.58 3.82 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.973 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -123.93 149.72 45.58 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.763 -0.257 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 57.32 23.66 9.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.556 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.478 ' CG ' ' H ' ' A' ' 20' ' ' GLY . 7.8 t-20 -173.56 -150.26 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' CG ' ' A' ' 19' ' ' ASN . . . -96.38 -91.4 1.82 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' HG ' HD22 ' A' ' 23' ' ' LEU . 18.4 tp -154.63 109.52 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.63 102.25 8.11 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' H ' HD21 ' A' ' 23' ' ' LEU . 2.5 pt? -130.52 150.36 51.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.01 0.434 . . . . 0.0 111.183 -178.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -145.99 130.51 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.3 tp -120.31 136.39 54.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.57 77.16 1.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.728 0.299 . . . . 0.0 111.337 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 10.2 t70 -164.24 148.1 9.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.54 21.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.453 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' H ' ' HB2' ' A' ' 64' ' ' ARG . 80.3 m 52.61 34.77 16.47 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.971 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.524 ' O ' ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -125.95 137.2 53.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.084 0.469 . . . . 0.0 112.217 -179.042 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.41 95.87 8.73 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -89.77 82.67 6.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.758 0.79 . . . . 0.0 110.265 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.43 -17.51 63.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.604 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.22 -29.82 34.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.995 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -73.7 -50.43 20.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.099 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.99 61.43 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.64 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.09 -34.57 73.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.63 -0.137 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -58.16 8.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.211 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.7 -33.15 75.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 ttm -65.23 -56.45 12.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.013 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.415 HD13 ' HA3' ' A' ' 16' ' ' GLY . 27.1 mt -63.79 -43.85 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -61.14 -28.94 69.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 mm -91.64 -33.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.124 0.487 . . . . 0.0 111.014 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -66.19 -59.11 4.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.911 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.39 122.87 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.744 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -130.47 23.07 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.831 0.824 . . . . 0.0 108.968 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.72 92.61 9.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.44 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.73 -54.86 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.817 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.76 -26.74 21.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.675 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -117.57 -23.2 7.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 110.894 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.96 85.24 0.05 OUTLIER Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.61 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.49 134.71 45.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.153 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -111.39 112.07 23.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.785 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.583 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 18.6 mt -111.13 74.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -108.17 105.0 14.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.295 0.569 . . . . 0.0 111.548 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.1 94.49 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.419 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -99.09 88.3 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.021 0.439 . . . . 0.0 110.586 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.56 87.65 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.04 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.36 69.42 9.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mt -79.59 -77.4 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.317 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.67 -124.69 3.54 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.373 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -86.78 21.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.593 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -77.56 -27.74 51.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.174 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 58.32 77.9 0.27 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.98 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.2 tp -78.2 149.84 33.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.081 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 42.3 m-85 -81.34 76.04 8.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -24.49 57.67 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.134 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.87 -28.89 70.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.096 0.474 . . . . 0.0 110.101 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 11.8 mm100 -67.87 -37.88 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.475 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.717 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.3 mt-10 -83.87 -37.57 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -59.75 -41.71 91.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.383 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -61.78 -27.65 68.9 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.4 pp -92.29 -26.62 18.04 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.638 -0.425 . . . . 0.0 109.964 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -76.11 -21.89 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.233 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.36 -30.49 29.02 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.079 0.552 . . . . 0.0 112.128 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.2 -31.15 4.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.016 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.532 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -57.81 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 m -69.84 -11.5 60.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.379 . . . . 0.0 111.405 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -151.54 47.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 4.2 pttm -69.35 86.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.819 0.819 . . . . 0.0 112.199 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.93 -32.45 23.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.252 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -83.25 170.39 14.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.374 -178.773 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -80.58 70.41 7.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.516 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -97.7 120.8 47.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.19 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -147.79 122.18 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 m -114.91 140.96 48.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 89' ' ' ILE . 18.6 tt -146.76 137.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.542 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -132.21 -171.38 2.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.724 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -130.93 46.46 2.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.96 172.26 1.82 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 111.808 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.63 136.24 51.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.062 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 pt -57.85 145.53 8.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.005 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -122.2 139.34 53.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.885 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -82.62 87.98 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.42 0.628 . . . . 0.0 110.604 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -158.05 144.4 17.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.044 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -81.56 90.38 6.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.225 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.76 64.0 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.256 0.55 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -77.64 127.94 33.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -83.41 82.45 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.345 0.593 . . . . 0.0 110.251 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.9 tp -130.46 128.97 64.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.802 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -140.0 119.16 12.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.288 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -81.42 -12.18 59.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.732 0.777 . . . . 0.0 108.945 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.176 -179.87 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.06 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -85.65 154.55 21.6 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -67.39 134.76 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.109 0.481 . . . . 0.0 111.17 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.9 ttt -114.08 140.46 48.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.854 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -83.91 125.53 32.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.42 -36.6 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -158.91 174.93 14.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.842 0.353 . . . . 0.0 111.332 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -144.99 172.54 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.301 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -100.51 -57.53 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.91 156.57 17.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.762 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -153.7 157.8 40.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.856 0.36 . . . . 0.0 110.647 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -140.47 131.99 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -136.01 130.06 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 14' ' ' ILE . 41.1 mt -130.13 97.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 110.091 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.81 80.97 2.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.42 25.61 11.03 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.216 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.83 127.51 53.47 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.721 -0.282 . . . . 0.0 110.869 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm 60.21 41.03 17.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.472 0.482 . . . . 0.0 111.528 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.79 -165.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.21 -88.43 0.2 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.7 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.0 tp -174.06 89.52 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.8 0.333 . . . . 0.0 110.309 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -100.12 103.93 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.25 152.57 45.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.985 0.422 . . . . 0.0 110.963 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -148.8 133.27 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.138 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.6 tp -127.6 148.77 50.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.18 75.91 1.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.158 0.286 . . . . 0.0 110.575 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.547 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 35.9 t0 -156.35 159.59 38.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.533 0.206 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.36 152.15 41.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.989 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.0 m 65.26 20.06 11.82 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.953 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.9 m -120.54 177.43 5.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.867 0.365 . . . . 0.0 110.524 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -101.48 115.81 31.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -109.62 24.85 12.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -177.129 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HG3' HD21 ' A' ' 34' ' ' LEU . 4.2 pt-20 -60.98 -22.17 64.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.527 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 HD21 ' HG3' ' A' ' 33' ' ' GLU . 3.5 mm? -67.02 -35.43 79.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.162 0.506 . . . . 0.0 109.724 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -46.53 23.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.71 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -57.68 -40.08 78.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.363 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.43 91.06 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.323 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.61 -29.96 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.333 . . . . 0.0 110.347 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -49.85 76.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -74.33 -36.33 63.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.385 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -65.06 -51.94 58.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.52 -37.45 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 p -61.28 -40.31 93.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.38 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.2 mt -79.11 -29.86 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.89 -59.5 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.453 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.91 116.82 7.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -136.81 23.37 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.466 0.65 . . . . 0.0 109.585 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.18 112.18 23.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.696 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -127.63 145.96 50.71 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.99 -28.77 36.4 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.279 -0.486 . . . . 0.0 111.912 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -77.92 -56.82 4.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.336 0.589 . . . . 0.0 109.977 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.68 93.51 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 103.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.411 0.624 . . . . 0.0 111.81 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -91.77 104.0 16.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.419 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 24.1 mt -103.2 86.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.308 0.575 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -105.99 105.25 15.2 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.043 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 t -102.58 86.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.449 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -109.3 100.54 9.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.162 0.506 . . . . 0.0 110.446 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.48 93.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 3.9 mtpm? -81.46 89.96 6.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 23.6 mt -92.2 -84.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.85 -78.53 0.33 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -123.5 9.81 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.56 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -68.8 -28.84 67.12 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.912 -179.448 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 t80 60.21 88.33 0.08 Allowed 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.788 0.68 . . . . 0.0 110.907 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 tp -73.45 144.98 46.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -82.06 85.71 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -54.72 -36.49 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -58.74 -27.67 65.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.601 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 20.8 mt-30 -78.58 -48.89 14.27 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.554 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 21.1 mm-40 -65.73 -30.75 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.28 -46.7 79.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.184 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.601 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 17.6 pt20 -62.43 -31.75 72.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -90.37 -34.1 15.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.444 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.9 m -65.45 -31.2 72.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.756 0.312 . . . . 0.0 110.389 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.49 -20.98 59.39 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.075 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.73 -37.69 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.079 0.466 . . . . 0.0 110.695 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.69 -25.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.001 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.58 62.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.512 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -16.5 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.655 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -147.71 43.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 110.29 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -77.76 46.67 0.57 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.407 0.622 . . . . 0.0 111.981 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.659 0.742 . . . . 0.0 109.21 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.462 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -69.03 174.27 4.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.289 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.19 70.73 10.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 8.4 p -98.82 132.91 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.918 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -147.53 98.98 3.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.807 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -102.24 134.74 45.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tt -160.52 124.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.228 0.537 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -114.41 176.88 4.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.765 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 60' ' ' LYS . 6.8 m -112.62 99.42 7.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.792 0.329 . . . . 0.0 110.561 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.91 -170.93 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.551 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.83 122.57 54.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 pt -68.54 102.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.331 0.586 . . . . 0.0 111.58 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -158.79 130.46 6.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.912 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -168.13 175.08 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.65 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -138.15 172.16 13.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.682 0.277 . . . . 0.0 110.552 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.1 34.38 0.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.317 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.83 50.89 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.058 0.456 . . . . 0.0 110.448 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -82.24 121.43 26.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.154 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -70.49 89.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.289 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.4 tp -150.59 139.81 15.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.977 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.14 92.48 1.17 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.252 0.549 . . . . 0.0 110.081 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.37 67.78 9.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.404 0.621 . . . . 0.0 110.618 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 118.142 -0.932 . . . . 0.0 109.629 179.508 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.076 -0.409 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 52.79 52.63 13.58 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.81 0.444 . . . . 0.0 111.649 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -133.55 -179.07 5.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.8 ptm -58.28 144.25 41.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.144 0.497 . . . . 0.0 111.604 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -99.23 166.16 11.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.505 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.83 179.15 4.42 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.357 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -76.23 168.79 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.542 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -156.41 160.12 39.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.187 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.38 -46.59 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.033 0.444 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -99.92 117.28 33.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.109 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -151.55 -171.88 4.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.729 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.74 129.27 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -151.27 139.92 20.7 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.576 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.45 121.57 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.94 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.153 0.501 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.01 48.33 0.59 Allowed Glycine 0 CA--C 1.507 -0.451 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 p -104.17 -70.97 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.68 28.03 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.972 0.415 . . . . 0.0 111.347 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -153.82 -152.4 0.41 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.44 -96.94 0.9 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.266 -0.969 . . . . 0.0 111.754 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 23' ' ' LEU . 23.1 tp -152.64 98.63 2.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.074 0.464 . . . . 0.0 110.192 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -118.43 112.94 20.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.956 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' CD2' ' HG ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -138.36 150.37 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 -178.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -141.52 108.62 5.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.112 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.12 128.67 54.6 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.45 106.56 9.28 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.944 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -163.23 -160.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -153.94 131.65 11.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.377 -0.202 . . . . 0.0 110.776 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 m 65.73 15.7 10.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.646 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -97.61 143.78 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.766 0.317 . . . . 0.0 110.235 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' A' ' 33' ' ' GLU . 81.4 m-85 -85.67 149.6 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.507 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 5.9 m-20 -77.81 24.41 0.22 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.622 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 31' ' ' PHE . 17.9 pt-20 -60.11 -36.91 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.7 mt -96.72 9.94 40.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.966 0.412 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 tt -113.68 -55.48 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -58.75 -35.87 73.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.546 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.13 -38.11 60.41 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.781 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.58 -35.88 13.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.338 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -55.79 -56.6 18.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.65 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.422 ' O ' HG13 ' A' ' 44' ' ' ILE . 24.2 t-20 -61.92 -46.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.3 ttm -57.35 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.424 -178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.88 -37.15 86.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.9 m -60.63 -27.97 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.998 0.428 . . . . 0.0 111.577 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 40' ' ' ASN . 3.6 mt -109.66 22.54 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.627 0.727 . . . . 0.0 109.819 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -124.03 -61.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.171 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.39 108.38 4.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.93 25.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.257 0.551 . . . . 0.0 110.183 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.46 88.63 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -47.62 11.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.03 -30.9 6.81 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.013 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.578 ' HE3' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -93.38 -37.98 11.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.889 0.344 . . . . 0.0 110.532 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.44 74.28 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.918 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -69.69 123.19 20.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.39 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -106.32 127.23 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 60.7 mt -117.06 91.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 m -125.51 117.13 22.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.032 0.444 . . . . 0.0 111.137 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -100.82 101.99 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.351 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.11 86.17 3.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.299 0.571 . . . . 0.0 109.747 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.49 93.52 3.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.993 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -98.0 61.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.516 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' ALA . 96.6 mt -99.95 -2.08 35.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.327 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.9 -123.97 31.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.041 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.78 59.5 3.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.451 0.643 . . . . 0.0 110.777 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' HD2' ' OD1' ' A' ' 32' ' ' ASP . 14.9 ptt180 -63.53 -20.42 65.6 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.344 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 57.39 41.26 26.62 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.736 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD22 ' OD1' ' A' ' 32' ' ' ASP . 2.2 tp -102.72 152.4 21.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.27 98.26 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.214 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -35.85 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.88 -28.34 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.236 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -65.16 -41.61 94.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.198 0.523 . . . . 0.0 109.797 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 23.3 mt-10 -69.63 -37.22 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.602 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -62.32 -48.48 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.685 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -59.94 -29.89 68.7 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.6 pp -87.43 -33.06 19.2 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -68.81 -32.28 71.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 36.8 mm-40 -58.23 -23.42 55.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.0 -33.86 76.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.316 0.579 . . . . 0.0 110.009 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.24 -16.7 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.313 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -63.69 -18.46 64.02 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.867 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -74.12 -27.14 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.189 0.518 . . . . 0.0 110.042 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -121.03 40.84 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.162 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 16.0 pttm -77.75 53.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.652 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -82.26 -22.66 35.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 109.563 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.04 170.09 16.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.206 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.08 80.64 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 110.927 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -100.42 124.9 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.553 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -147.75 104.82 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.35 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m -117.18 127.75 54.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.298 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 tt -148.25 124.8 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.288 0.566 . . . . 0.0 110.706 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.47 160.84 16.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -88.65 58.56 4.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.61 151.47 44.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.78 111.27 34.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 0.0 109.92 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.4 tt -101.31 -4.04 9.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.178 0.513 . . . . 0.0 111.604 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.8 4.01 35.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.97 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -128.24 88.52 2.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.103 0.478 . . . . 0.0 110.741 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -98.52 137.38 37.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.833 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -88.0 95.36 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.393 . . . . 0.0 110.49 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.83 -0.19 46.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.16 143.62 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.308 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -89.48 74.73 7.68 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.798 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.2 tp -92.88 132.03 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.024 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -133.13 74.78 1.58 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.29 36.16 1.94 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.082 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.026 -179.275 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 112.19 -0.364 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -63.16 127.43 31.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.968 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -145.88 125.64 13.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.083 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.4 ttm -79.16 134.66 36.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.451 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -124.64 164.58 19.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.34 -161.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.565 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -73.85 158.61 34.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 0.0 110.635 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 9.2 pttt -98.71 140.32 33.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.563 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -87.32 -60.8 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.022 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -129.27 105.18 7.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -108.79 138.67 44.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 p -137.29 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.936 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -150.69 144.75 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.212 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.2 mt -136.33 99.58 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.123 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.4 83.45 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.443 . . . . 0.0 110.383 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -127.32 88.34 0.34 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.615 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -162.29 -63.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 110.606 -179.548 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' H ' HG22 ' A' ' 17' ' ' THR . 31.9 mmtm -121.84 52.99 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -172.07 -166.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.822 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -89.81 0.64 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.047 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -160.1 89.07 0.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.506 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.46 96.63 6.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -119.13 146.98 44.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -142.58 125.94 16.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.264 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -125.96 121.92 34.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.47 69.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -139.18 133.82 31.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.086 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.69 159.1 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.59 0.233 . . . . 0.0 111.277 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m 56.42 49.53 14.8 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.912 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -162.39 -171.72 2.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -130.56 166.79 19.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -173.53 96.95 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.79 6.56 38.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.84 -38.32 12.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.93 -53.78 54.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.621 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.69 -32.77 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.944 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.54 -49.2 75.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.593 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.0 -41.89 81.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.199 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.86 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.298 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -68.01 -39.94 83.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.407 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.7 mmm -65.94 -48.93 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.894 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.4 mt -57.39 -42.83 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -61.17 -36.36 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 111.075 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -80.71 -28.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.001 0.429 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.33 -71.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.42 101.25 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.88 -5.16 38.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 109.696 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.56 103.98 16.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.811 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -107.6 -172.5 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.886 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.2 27.23 7.83 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.242 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -55.34 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.394 . . . . 0.0 110.753 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.08 91.54 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -54.52 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.755 0.788 . . . . 0.0 112.743 -178.579 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -91.04 91.57 8.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.163 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 32.3 mt -91.93 64.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -108.91 96.86 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.532 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.1 96.99 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -110.22 96.63 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.59 149.48 13.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.264 0.554 . . . . 0.0 111.068 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.409 ' HG3' ' OG ' ' A' ' 91' ' ' SER . 3.8 ttmt -120.43 68.63 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 64' ' ' ARG . 19.5 mt -85.07 -29.32 25.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.205 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.58 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 68.21 -101.31 0.73 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.905 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -109.18 17.61 21.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.106 0.479 . . . . 0.0 110.264 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.7 ttt180 -60.19 -33.75 72.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.441 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.2 t80 61.73 85.23 0.12 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.482 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.72 158.69 15.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.314 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -75.68 75.16 2.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.177 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -54.25 -30.3 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.016 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.08 -41.07 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.8 mm100 -68.73 -44.14 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 mt-10 -65.61 -41.56 92.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.12 -46.34 84.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.534 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.1 pt20 -64.3 -32.2 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.5 pp -83.83 -31.2 25.95 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.93 -0.481 . . . . 0.0 110.756 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -67.72 -30.97 70.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.48 -30.14 39.54 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.27 -36.91 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.23 -18.36 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -62.29 -34.66 77.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.399 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -68.91 -17.32 63.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.283 0.563 . . . . 0.0 111.21 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -134.14 41.2 2.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.579 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -75.58 55.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.481 -179.159 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.43 -16.97 37.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.62 172.26 14.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.43 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -83.87 74.12 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -97.56 137.41 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -159.19 88.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.607 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.71 130.92 39.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -157.81 149.19 9.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 111.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -130.19 152.69 49.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.58 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 2.1 m -84.48 53.78 2.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.047 0.451 . . . . 0.0 109.96 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -45.93 133.95 8.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.891 -1.049 . . . . 0.0 112.712 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.3 p -68.81 158.18 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.258 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.6 pt -68.55 159.2 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.658 0.266 . . . . 0.0 110.663 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m 60.61 54.69 3.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.673 0.749 . . . . 0.0 110.707 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -131.23 101.1 5.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.382 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -123.84 134.45 53.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.994 0.426 . . . . 0.0 111.146 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -88.85 60.98 5.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.124 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.41 84.67 2.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.676 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -137.85 154.19 49.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.298 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -80.07 96.33 6.45 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.8 tt -155.32 144.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.16 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -150.65 142.35 23.67 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.79 9.8 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.115 0.483 . . . . 0.0 110.874 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.074 -0.41 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -95.86 -179.3 4.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.09 0.472 . . . . 0.0 110.488 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -154.06 130.41 10.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -65.18 113.7 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.73 146.61 52.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.58 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -81.68 -153.07 0.1 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.246 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' H ' HG23 ' A' ' 6' ' ' THR . 12.1 ptmt -59.92 144.82 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 111.461 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.92 146.02 38.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.33 -38.51 5.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -127.67 106.63 9.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.033 0.444 . . . . 0.0 111.029 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -129.78 158.66 38.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.22 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.08 142.12 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 t -155.46 142.62 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -132.97 135.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.069 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -129.79 93.05 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.316 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.04 72.94 0.43 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.796 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -142.98 -70.27 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.866 0.365 . . . . 0.0 110.194 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' H ' HG22 ' A' ' 17' ' ' THR . 13.6 ttpp -101.99 27.88 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 109.128 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.84 -171.74 4.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.802 -178.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -104.76 0.18 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.566 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' HB3' HG22 ' A' ' 55' ' ' ILE . 45.8 tp -144.87 86.67 1.8 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.202 0.525 . . . . 0.0 110.5 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 m -105.65 111.72 24.51 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.084 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.32 142.44 50.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.064 0.459 . . . . 0.0 110.637 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -131.13 121.17 24.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.781 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 27' ' ' ASP . 1.7 tm? -129.25 120.76 26.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.15 38.47 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 110.617 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' H ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.2 123.58 47.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.406 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.11 133.31 45.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.934 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.6 m 56.74 42.3 26.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.683 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -125.32 179.35 5.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.711 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -80.14 107.26 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.442 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.78 -2.22 58.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.667 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.0 -39.89 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.829 0.347 . . . . 0.0 111.255 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.66 -18.37 65.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.267 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tp -92.56 -52.15 4.78 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.184 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -40.19 78.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.598 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.18 -55.27 25.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.505 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.62 -37.6 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.638 0.256 . . . . 0.0 110.493 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.24 -55.44 31.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.809 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.1 -42.1 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.089 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.3 tpp -59.09 -57.08 14.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.205 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.0 mt -65.25 -28.44 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -64.95 -14.51 60.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.714 0.292 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -118.21 -35.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 110.281 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.14 -52.13 60.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.637 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.4 106.7 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.563 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -138.26 24.75 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.279 0.561 . . . . 0.0 110.398 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -132.78 93.6 3.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -88.61 -40.35 13.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.25 61.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.112 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.73 26.6 15.71 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.666 0.387 . . . . 0.0 111.981 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.31 30.8 1.44 Allowed Glycine 0 CA--C 1.507 -0.456 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.351 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.18 17.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.926 0.393 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -98.69 113.31 25.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.438 HG22 ' HB3' ' A' ' 21' ' ' LEU . 45.0 mt -107.84 75.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.508 0.671 . . . . 0.0 109.352 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 p -98.21 104.56 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.043 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.65 94.27 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.716 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -96.62 78.71 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.499 . . . . 0.0 110.252 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.62 91.3 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.984 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -95.57 62.26 2.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.04 -9.59 58.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.092 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.96 -135.9 40.67 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.472 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -86.65 34.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -31.47 72.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 t80 62.42 84.81 0.13 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.89 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.6 tp -115.3 158.92 21.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.431 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -74.01 81.53 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.0 110.282 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -54.37 -41.58 69.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.934 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.46 -42.81 88.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.596 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 16.7 mt-30 -68.81 -33.39 73.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.583 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.39 -29.75 42.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.54 0.686 . . . . 0.0 109.782 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 19.6 tt0 -75.09 -40.92 59.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.056 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.9 pt20 -56.39 -39.08 72.38 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.98 -31.22 62.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.282 0.563 . . . . 0.0 109.508 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.5 m -71.32 -28.8 64.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 72' ' ' GLU . 49.4 mt-10 -55.97 -26.55 48.71 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.39 -42.56 91.99 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -91.17 -30.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.002 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -62.76 -32.48 73.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.4 m -66.4 -14.57 62.34 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.32 45.57 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -72.56 58.46 0.42 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.506 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -82.04 -10.8 59.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.381 0.61 . . . . 0.0 110.178 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.31 171.19 9.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.546 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -80.99 75.64 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.407 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.34 130.76 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -143.8 101.59 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -98.27 130.17 44.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 tt -141.13 118.74 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.227 0.537 . . . . 0.0 110.828 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.52 175.95 5.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.968 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.8 m -109.47 43.63 1.28 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.593 0.235 . . . . 0.0 111.159 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -62.99 132.12 50.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.12 149.14 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.185 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 13.1 pt -89.86 5.07 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.656 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -78.18 86.01 4.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.262 0.553 . . . . 0.0 110.034 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -125.89 145.52 50.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.137 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -104.37 157.25 17.28 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -66.05 132.0 47.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.968 0.414 . . . . 0.0 110.513 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.29 66.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.221 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -73.62 129.9 38.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.897 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -83.17 89.6 6.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.215 0.531 . . . . 0.0 110.642 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.0 tt -141.17 114.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.231 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 105' ' ' GLU . 13.6 mmt180 -128.05 112.92 15.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -84.09 37.86 0.63 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.462 0.649 . . . . 0.0 109.937 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 103' ' ' ARG . 38.8 mt-10 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.949 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -116.35 -179.7 3.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.887 0.375 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -160.16 118.76 2.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.9 mtt -97.73 173.63 7.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.92 0.39 . . . . 0.0 111.261 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -93.02 114.19 26.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.876 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -52.03 7.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.211 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -123.31 156.12 35.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.741 0.305 . . . . 0.0 110.791 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 152.84 33.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.944 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -93.45 -59.06 2.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.634 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -108.22 133.32 52.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.535 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -140.03 136.01 33.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.83 139.52 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.914 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.428 HG21 ' HB3' ' A' ' 24' ' ' HIS . 1.7 t -157.85 127.48 5.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.386 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mt -127.41 142.21 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.722 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -148.75 161.13 42.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.568 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.75 -37.02 0.18 Allowed Glycine 0 C--O 1.223 -0.538 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.119 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -53.52 -18.64 2.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.62 32.35 5.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.116 -0.365 . . . . 0.0 111.223 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.432 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 8.4 t-20 -177.72 -141.85 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.157 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.423 ' H ' ' CG ' ' A' ' 19' ' ' ASN . . . -100.01 -74.55 1.12 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD22 ' HG3' ' A' ' 39' ' ' GLN . 18.5 tp -157.74 109.99 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.842 0.353 . . . . 0.0 110.096 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.68 100.76 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.54 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -129.14 137.84 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 111.27 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.428 ' HB3' HG21 ' A' ' 13' ' ' THR . 11.6 t60 -138.95 124.98 19.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.567 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -131.89 128.13 37.93 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.654 0.264 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -116.64 105.38 12.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.123 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.516 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.8 t70 -165.8 -168.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.65 137.32 7.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.62 0.248 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.6 m 66.04 11.18 7.58 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.173 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -103.51 157.15 17.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.871 0.367 . . . . 0.0 110.751 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -81.93 139.29 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.554 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.7 p30 -99.1 19.56 15.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.473 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -59.29 -38.58 80.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 tp -68.5 -22.81 64.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.38 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 tp -85.06 -41.67 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.16 -38.24 82.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.544 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.34 49.96 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.03 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.3 -40.96 50.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HG3' HD22 ' A' ' 21' ' ' LEU . 22.5 tt0 -55.65 -48.95 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.5 -48.41 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.159 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.0 ttt -59.72 -55.66 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.47 -44.95 89.51 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.2 m -59.01 -29.61 67.38 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mt -96.91 -26.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.069 0.461 . . . . 0.0 111.034 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.37 -59.31 2.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.911 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -149.91 91.43 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.981 0.419 . . . . 0.0 111.359 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -101.38 -7.21 23.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.383 0.611 . . . . 0.0 110.015 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.85 126.2 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.138 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 19' ' ' ASN . 16.2 t70 -104.6 -54.1 2.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.03 0.443 . . . . 0.0 110.012 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.3 -28.61 11.45 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.422 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -47.88 3.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.79 79.88 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.385 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -66.94 120.11 13.05 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.327 0.584 . . . . 0.0 111.292 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -110.96 132.9 53.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.969 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.8 mt -112.77 76.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -96.64 109.09 21.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.535 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 88' ' ' SER . 12.7 t -101.65 97.14 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -109.39 100.79 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.335 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.52 118.59 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.931 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -105.02 34.07 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 110.52 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 90.8 mt -70.76 -27.98 64.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.473 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 76.33 -83.29 0.99 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.132 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -106.8 52.23 0.72 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.0 111.336 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.554 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 13.7 ptt180 -68.46 -26.84 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.3 t80 55.73 39.3 30.8 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.627 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.6 tp -87.02 142.7 27.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.05 106.07 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -21.15 63.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.405 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.74 -35.18 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 4.3 mm100 -66.97 -41.06 87.49 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 13.1 mm-40 -74.58 -38.7 62.58 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -52.66 64.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.225 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.6 pp0? -56.39 -32.39 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.8 pp -88.26 -31.5 18.99 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -69.14 -29.05 67.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.797 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 72' ' ' GLU . 95.5 mt-10 -51.03 -34.24 28.66 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.807 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.4 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.27 -30.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.999 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.13 71.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.741 0.305 . . . . 0.0 111.666 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 m -70.42 -5.46 28.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -154.23 46.9 0.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -79.33 61.23 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.49 0.662 . . . . 0.0 112.129 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.324 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.414 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -74.98 160.49 30.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.794 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.31 78.93 4.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.483 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.99 143.6 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.161 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -159.46 97.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.406 ' HA ' ' HB ' ' A' ' 57' ' ' VAL . 1.4 m -105.29 125.47 51.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.253 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.9 tt -154.91 132.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.433 0.635 . . . . 0.0 111.754 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.99 143.9 51.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.609 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.6 m -71.4 83.56 0.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.2 141.13 30.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.263 0.554 . . . . 0.0 110.558 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.78 -14.35 7.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.572 0.701 . . . . 0.0 109.32 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.9 tp -165.33 138.57 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.188 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.8 m -83.92 -37.72 21.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -140.16 122.89 16.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.575 0.226 . . . . 0.0 110.915 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -149.29 118.02 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -86.21 85.14 7.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.144 0.497 . . . . 0.0 111.243 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.86 95.22 5.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.167 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -76.01 118.35 18.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.973 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -66.93 108.13 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 0.0 110.441 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.0 tp -145.0 135.71 19.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.817 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -123.21 140.85 52.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.919 0.39 . . . . 0.0 110.193 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.62 14.42 23.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.852 0.834 . . . . 0.0 109.473 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--O 1.247 0.969 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.182 -179.125 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.35 120.83 15.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.341 . . . . 0.0 110.681 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -157.13 165.82 34.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.748 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -76.47 149.74 36.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -93.93 124.54 38.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.377 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -170.82 3.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.635 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -64.33 154.88 34.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.421 . . . . 0.0 111.639 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.82 163.1 38.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.899 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -100.21 -57.71 2.07 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.136 0.493 . . . . 0.0 110.602 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -88.84 117.24 27.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.136 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -159.6 171.05 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -149.41 151.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.417 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -149.76 140.11 22.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -132.84 110.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.334 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -106.94 94.11 4.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.65 70.04 0.5 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -144.82 122.39 11.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.712 0.292 . . . . 0.0 110.952 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 56.63 29.0 14.9 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.444 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.478 ' HA ' ' CB ' ' A' ' 49' ' ' ASP . 4.6 t-20 -159.6 -148.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.68 -115.22 1.77 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.961 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 ' HG ' HD22 ' A' ' 23' ' ' LEU . 49.9 tp -153.57 96.83 2.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.207 0.527 . . . . 0.0 110.297 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -112.95 99.64 8.03 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' HG ' ' A' ' 21' ' ' LEU . 1.6 pt? -130.68 154.39 47.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.56 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -154.35 128.69 9.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.275 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 tp -114.93 140.18 49.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.706 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.67 83.55 2.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.171 0.51 . . . . 0.0 109.662 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.74 126.39 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.385 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.62 150.43 23.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.524 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.8 m 73.26 -2.85 2.61 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.432 0.693 . . . . 0.0 112.79 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -110.05 150.39 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.214 -0.304 . . . . 0.0 110.472 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -88.11 136.41 32.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.693 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 11.7 p-10 -89.56 51.93 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.387 0.613 . . . . 0.0 111.189 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.29 -24.12 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.586 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.16 -1.77 56.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.105 0.478 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 7.2 tp -101.91 -48.98 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.168 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -36.7 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.581 ' O ' ' HB2' ' A' ' 41' ' ' MET . . . -61.59 -48.31 85.34 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.186 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.9 -40.82 83.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.0 110.296 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -51.58 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.567 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.73 -40.35 66.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.481 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.581 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 2.6 tmm? -59.78 -51.96 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.269 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.58 -37.62 85.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -68.17 -14.14 62.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.934 0.397 . . . . 0.0 111.886 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -105.94 -34.51 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.017 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.69 -69.47 0.46 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.53 116.43 5.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.056 0.455 . . . . 0.0 111.063 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.79 8.8 4.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.288 0.566 . . . . 0.0 109.722 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.484 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 3.2 m -100.21 89.96 4.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' CB ' ' HA ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -72.87 -43.64 62.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.135 179.543 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.41 -8.14 32.56 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.806 -0.712 . . . . 0.0 114.088 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 2.9 mppt? -135.68 25.68 3.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.157 0.978 . . . . 0.0 112.041 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.76 83.9 1.75 Allowed Glycine 0 C--N 1.315 -0.597 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 48' ' ' THR . 1.5 pm0 -77.55 139.22 39.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.045 0.45 . . . . 0.0 111.24 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 85.9 tttt -104.89 107.54 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.677 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 10.0 mt -107.13 64.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.29 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -95.62 100.36 12.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.156 0.503 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 88' ' ' SER . 49.1 t -88.4 97.57 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.389 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 64.3 m170 -99.82 92.22 5.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -95.79 80.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.467 0.651 . . . . 0.0 110.587 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -85.36 69.69 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.121 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.2 -79.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.1 0.476 . . . . 0.0 110.312 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.77 -105.2 0.34 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.113 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -100.72 25.58 7.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.845 0.355 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -72.08 -33.15 67.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 57.22 62.42 2.2 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.809 0.693 . . . . 0.0 110.2 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.54 156.19 37.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.014 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -72.93 86.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.098 0.475 . . . . 0.0 110.453 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -45.57 71.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.798 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -54.23 -37.09 64.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.671 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.585 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 11.5 mt-30 -66.43 -45.62 79.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.855 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.0 mm-40 -73.27 -33.32 65.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.181 0.515 . . . . 0.0 109.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -65.28 -48.69 72.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.585 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.3 pp0? -58.16 -32.78 68.52 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.6 pp -82.64 -32.72 28.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.317 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -73.65 -27.75 61.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.289 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -49.18 -36.97 21.07 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.978 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.75 -52.18 66.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.116 0.484 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mp -75.88 -30.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.964 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.71 -24.27 65.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.98 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.7 m -65.81 -30.31 70.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 0.0 110.754 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -137.26 48.52 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -72.21 78.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.68 -3.98 57.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.852 0.834 . . . . 0.0 109.336 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.19 172.07 8.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.034 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.405 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 77.6 m-85 -85.99 67.64 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -99.62 124.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.289 0.566 . . . . 0.0 111.552 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -155.26 126.1 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.269 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 11.0 m -117.58 140.78 49.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.663 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.1 tt -147.5 135.86 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -111.66 -171.85 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.8 m -128.0 56.69 1.58 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.089 -0.382 . . . . 0.0 111.616 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.02 170.9 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.196 0.522 . . . . 0.0 111.158 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.6 p -121.63 -20.62 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.6 tt -148.97 122.05 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.081 0.467 . . . . 0.0 110.315 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -89.35 105.26 17.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -155.88 148.12 23.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.818 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -148.81 127.48 12.47 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -71.38 92.78 1.09 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.998 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.21 67.0 9.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.628 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -87.54 145.86 26.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.954 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -78.07 82.38 4.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.082 0.468 . . . . 0.0 111.275 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.8 tt -135.34 106.18 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.31 123.72 50.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.523 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HG2' ' HG2' ' A' ' 105' ' ' GLU . 7.2 pm0 -81.5 -21.35 38.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.27 0.557 . . . . 0.0 109.574 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.415 ' HG2' ' HG2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.835 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m 58.19 65.12 1.34 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.211 0.529 . . . . 0.0 111.205 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -133.94 151.35 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.55 149.36 27.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.776 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -108.46 115.66 30.52 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.08 169.14 12.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.58 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -63.7 150.93 43.26 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 166.1 27.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.492 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -97.34 -25.97 15.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.653 0.264 . . . . 0.0 110.62 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.8 141.82 23.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -153.45 153.48 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.505 0.193 . . . . 0.0 110.638 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.83 137.07 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.003 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 t -155.49 141.82 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mt -136.57 121.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.1 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.02 100.35 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.45 29.61 4.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.211 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 t -121.57 139.53 53.39 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mttt 56.28 34.41 23.99 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -175.13 -139.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.229 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.547 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -104.11 -101.21 2.65 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.934 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD23 ' HG2' ' A' ' 39' ' ' GLN . 61.8 tp -160.08 97.41 1.26 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.082 0.467 . . . . 0.0 110.694 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -111.48 114.84 28.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.682 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.87 149.6 51.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.401 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.465 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 12.5 t-160 -158.6 126.52 5.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.563 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.8 tp -126.95 131.99 50.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -112.45 81.18 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.89 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -151.19 123.7 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.15 142.61 27.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.3 m 56.27 66.82 1.1 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.728 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 172.68 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -112.01 100.8 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.4 0.619 . . . . 0.0 109.468 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.29 45.05 0.82 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.503 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -58.21 -36.42 73.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.361 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.94 -33.46 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 tp -70.68 -47.92 57.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.97 -40.03 96.48 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.44 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.87 -48.1 87.74 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.783 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.28 -36.86 85.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.046 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' HG2' HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -57.76 -48.04 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.237 179.119 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -67.98 -45.67 73.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ttt -57.46 -55.51 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.97 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.69 -37.92 85.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 t -60.95 -35.61 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.079 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.56 -35.62 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.1 -68.02 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.174 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.57 129.47 6.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 0.0 111.606 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -132.83 12.15 4.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.611 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.44 88.33 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.662 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.4 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -36.2 2.27 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.79 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 28.74 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.224 0.535 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.83 114.81 3.77 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.879 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.547 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 1.6 pm0 -104.1 147.19 27.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.233 0.54 . . . . 0.0 111.322 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -103.7 104.62 14.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.115 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 18.3 mt -102.32 67.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.798 0.809 . . . . 0.0 108.902 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 m -98.28 99.83 11.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.665 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 88' ' ' SER . 18.8 t -86.84 91.07 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.547 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 13.4 m-70 -97.03 81.83 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.873 0.368 . . . . 0.0 111.338 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.12 73.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.662 0.744 . . . . 0.0 109.964 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.8 mtpt -79.73 59.44 3.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.561 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.2 mp -80.38 -78.09 0.18 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 119.73 95.86 1.6 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.245 -0.979 . . . . 0.0 112.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 61.96 47.03 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.448 0.642 . . . . 0.0 110.357 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.512 ' NH1' HD21 ' A' ' 66' ' ' LEU . 20.9 ptt180 -83.34 -32.64 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.0 t80 52.95 61.95 2.93 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.685 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.512 HD21 ' NH1' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -89.31 -169.28 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.166 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.62 80.95 8.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.272 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -59.47 -32.22 70.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -58.87 -43.7 90.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.411 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 20.3 mt-30 -66.58 -41.09 89.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 35.1 mt-10 -63.4 -49.94 71.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.642 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.2 -44.74 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp0? -59.87 -38.7 82.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -33.86 58.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.926 0.393 . . . . 0.0 110.128 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -68.49 -32.52 72.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.787 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.94 -34.16 69.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.485 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.33 -29.28 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 110.947 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.5 mt -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.27 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -12.38 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.365 0.602 . . . . 0.0 110.422 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -149.12 45.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.951 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.65 59.52 0.46 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.348 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.15 -11.96 51.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.67 0.747 . . . . 0.0 109.397 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD12 ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -84.0 170.05 14.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.156 179.707 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -89.49 72.72 7.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.345 0.593 . . . . 0.0 110.259 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.543 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.7 p -98.79 136.12 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.624 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.23 109.95 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.497 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -101.27 150.12 23.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 179.529 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.0 tt -150.71 129.81 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.82 171.83 7.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.42 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.486 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 50.8 m -124.74 33.03 5.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.322 0.582 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -81.7 149.19 28.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.507 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.33 -10.84 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.263 0.554 . . . . 0.0 110.744 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.6 mt -72.14 112.4 7.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.745 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.7 t -102.26 -6.21 23.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.281 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -81.83 172.14 13.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.353 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -138.72 141.34 38.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.551 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -90.89 105.69 18.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.041 0.448 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.37 59.19 5.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -106.45 136.57 45.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.068 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -88.55 78.34 7.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.383 0.611 . . . . 0.0 110.376 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 tt -114.53 108.49 25.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.261 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.25 121.43 14.81 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.854 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -95.22 13.23 26.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.346 0.593 . . . . 0.0 110.068 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.842 -179.813 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.42 121.22 28.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.051 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -115.32 129.79 56.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.679 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.3 ptm -86.04 165.23 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.088 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -89.62 89.38 7.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.792 0.33 . . . . 0.0 110.505 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.52 -170.26 2.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -76.34 162.44 27.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.97 175.23 11.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -92.15 -67.54 0.85 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -124.47 141.53 52.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.742 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -168.66 167.21 11.48 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 111.504 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.08 135.6 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.83 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -148.29 135.52 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.74 133.22 69.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -135.85 106.58 6.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.118 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -146.09 67.84 0.4 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.374 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -148.55 125.23 11.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 58.55 33.51 23.16 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.25 -159.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.851 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -97.99 0.92 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.919 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.8 tp -164.37 104.57 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.359 . . . . 0.0 110.124 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -122.4 115.1 21.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.097 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 pp -149.81 166.26 30.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.914 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.541 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 16.5 p80 -162.61 137.77 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.457 178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -124.64 120.97 33.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.93 83.73 1.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.776 0.322 . . . . 0.0 110.732 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -163.28 124.77 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.532 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.76 157.82 17.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.88 0.372 . . . . 0.0 111.803 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.0 m 58.5 56.4 4.34 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.982 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.74 167.78 26.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.13 111.75 23.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.048 0.451 . . . . 0.0 110.041 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.45 45.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.534 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -63.33 -44.68 94.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.67 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.44 -35.24 79.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.392 . . . . 0.0 110.461 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 19.9 tp -63.41 -47.88 80.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.761 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HA ' ' NE2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -58.89 -39.56 81.83 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.708 179.218 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.26 97.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.773 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.29 -42.88 92.67 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.54 ' NE2' ' HA ' ' A' ' 36' ' ' ASP . 18.9 mt-30 -54.12 -50.57 66.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.628 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -64.47 -54.05 38.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.668 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 ttm -55.29 -50.02 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD13 ' HA3' ' A' ' 16' ' ' GLY . 95.1 mt -61.88 -41.61 98.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 m -62.94 -37.69 88.06 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.514 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.48 -21.76 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.322 0.582 . . . . 0.0 110.45 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.98 -51.73 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.78 155.76 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -153.61 -31.64 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.08 90.59 7.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.674 0.273 . . . . 0.0 110.506 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -66.93 -52.37 43.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.86 -11.24 7.85 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.557 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -151.73 28.82 0.61 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.157 0.979 . . . . 0.0 112.255 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.7 92.96 2.14 Favored Glycine 0 C--N 1.319 -0.361 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.213 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.8 137.4 36.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.414 0.626 . . . . 0.0 111.8 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 81.1 tttt -108.52 112.55 24.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.547 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 17.7 mt -107.93 63.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.714 0.768 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -89.02 92.47 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 88' ' ' SER . 47.1 t -86.39 93.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.635 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 40.1 m170 -107.87 112.6 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.577 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -108.39 117.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.823 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -112.26 48.11 1.01 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.301 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mp -76.38 -77.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.38 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 107.47 122.25 4.81 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.301 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 p30 44.22 39.73 3.15 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 112.18 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -24.87 62.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 110.201 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 57.17 31.81 20.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.364 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.9 155.06 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.828 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 80.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.067 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -50.48 -26.26 4.93 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.986 0.914 . . . . 0.0 112.904 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.63 -20.94 66.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 2.7 tt0 -65.97 -48.9 69.73 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 0.0 111.748 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 mp0 -71.23 -31.16 67.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -46.42 77.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.061 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp0? -59.31 -26.24 64.83 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.3 pp -91.88 -34.26 14.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.536 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.3 m -71.09 -29.8 65.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.17 -24.24 66.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.41 -21.6 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 0.0 110.191 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.0 -20.4 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.59 -22.26 66.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.635 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.68 62.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 110.194 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 46.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.122 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -70.67 68.08 0.39 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.547 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -94.68 -10.67 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.688 0.756 . . . . 0.0 109.385 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.488 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -80.05 161.27 25.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.196 -179.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 35.5 m-85 -82.75 62.61 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.2 p -90.01 140.3 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.007 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 106.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.606 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -98.98 150.22 22.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 tt -163.73 142.13 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 50.1 t0 -130.89 167.71 18.52 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.425 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.6 m -101.73 99.83 10.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.94 0.4 . . . . 0.0 110.856 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.66 149.88 37.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.282 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 p -114.43 -2.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.453 0.645 . . . . 0.0 110.372 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 95' ' ' THR . 7.9 tp -158.03 153.61 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.031 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.428 ' N ' HG13 ' A' ' 94' ' ' ILE . 14.8 t -74.93 166.63 23.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.29 156.09 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.432 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -83.27 -174.99 5.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.358 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -79.14 129.58 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -150.28 70.48 1.03 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.655 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -82.76 150.63 26.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.377 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -83.93 65.49 8.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.256 0.55 . . . . 0.0 110.967 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.7 tt -107.91 106.27 20.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.01 127.81 23.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -105.15 1.59 28.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.214 0.531 . . . . 0.0 110.043 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.497 -0.764 . . . . 0.0 110.217 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m 58.05 60.98 2.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.148 0.499 . . . . 0.0 111.556 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -86.51 159.25 19.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ttm -152.75 141.32 20.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.355 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -84.59 78.22 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.315 0.579 . . . . 0.0 109.453 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -78.73 175.06 10.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.454 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -79.09 167.55 20.89 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.757 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -145.49 165.68 27.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.244 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -80.78 -46.26 15.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.437 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -108.69 119.45 39.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.395 179.527 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -149.71 164.05 36.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.168 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.84 144.06 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.656 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -157.05 130.12 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.9 mt -117.03 125.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -121.25 102.93 8.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.945 0.402 . . . . 0.0 110.452 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.76 48.36 0.97 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.05 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -127.95 132.82 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.48 43.48 30.27 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.233 0.54 . . . . 0.0 110.366 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.27 -146.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.867 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.12 -90.88 2.2 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.825 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HB3' HG23 ' A' ' 55' ' ' ILE . 57.8 tp -161.52 100.07 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.949 0.404 . . . . 0.0 110.62 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 114.2 23.22 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.882 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 pp -142.6 165.72 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.651 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 47.0 p-80 -161.19 142.96 11.91 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.156 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.2 143.88 48.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -127.74 91.79 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.283 0.364 . . . . 0.0 110.884 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -171.56 118.08 0.43 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.334 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.9 151.64 23.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.2 m 59.08 48.55 10.5 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.109 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -138.47 147.26 43.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.288 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -91.86 99.36 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.166 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.29 39.03 0.44 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.9 -23.08 64.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.04 -24.85 62.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.746 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.16 -30.42 67.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.99 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -61.83 -35.95 79.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.984 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.83 -53.15 41.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.472 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.58 -42.73 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.22 -48.83 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -66.66 -51.11 59.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.221 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.48 -44.87 89.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.188 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 53.3 mt -63.94 -35.34 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -34.16 76.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.156 0.503 . . . . 0.0 110.394 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -84.77 -34.09 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.02 -67.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.228 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 136.73 16.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.002 0.43 . . . . 0.0 111.522 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -128.38 -13.65 4.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.22 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -96.86 87.02 4.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.448 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -49.92 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 110.303 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.96 -55.58 0.52 Allowed Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.345 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -140.58 25.6 2.18 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.66 109.86 0.6 Allowed Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.746 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -112.63 135.71 53.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 37.8 ttmt -113.92 117.13 30.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.264 0.554 . . . . 0.0 111.183 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 2.7 mp -111.7 65.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.953 0.882 . . . . 0.0 109.485 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 54.1 m -93.39 84.89 4.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.818 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.627 ' O ' ' HA ' ' A' ' 88' ' ' SER . 48.0 t -80.38 98.11 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.869 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.651 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 30.5 m170 -105.67 103.6 13.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.204 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.69 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -103.68 100.74 11.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.136 0.493 . . . . 0.0 110.078 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -96.4 60.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.376 0.608 . . . . 0.0 110.676 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mp -91.1 -68.79 0.77 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' CA ' ' HB2' ' A' ' 91' ' ' SER . . . 100.27 116.2 3.9 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 p30 45.26 45.55 9.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.723 0.773 . . . . 0.0 111.169 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -17.7 64.35 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.9 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 66.67 14.4 9.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.833 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.8 tp -78.21 149.03 33.75 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.486 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 10.8 m-85 -66.51 107.48 2.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.477 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -60.22 -41.29 92.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.58 -23.79 66.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.137 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 1.2 tt0 -64.49 -39.06 93.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.042 0.449 . . . . 0.0 109.794 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 2.2 mm-40 -71.53 -39.33 70.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.289 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 75' ' ' THR . 5.1 mm-40 -64.13 -48.38 76.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.524 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.4 pp0? -61.9 -29.9 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -84.19 -33.6 24.14 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.68 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 72' ' ' GLU . 5.2 t -79.64 -14.25 58.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.594 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.15 -35.81 76.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.99 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.89 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.063 0.458 . . . . 0.0 110.603 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -100.52 -7.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.431 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.04 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.32 -5.14 45.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -154.88 39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.135 0.493 . . . . 0.0 110.546 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -79.22 65.91 4.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.272 0.558 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.43 19.59 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.059 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.02 179.03 4.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.716 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 73.6 m-85 -88.82 68.11 8.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.463 0.649 . . . . 0.0 109.669 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.0 p -97.05 139.1 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.252 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -161.72 109.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.386 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.627 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 22.3 t -115.05 146.86 40.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.176 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 tt -168.02 141.72 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 120.644 0.259 . . . . 0.0 110.859 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.69 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 15.8 t0 -124.35 168.86 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.413 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -80.64 71.61 7.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.98 106.6 8.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.169 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -100.95 1.29 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.839 0.828 . . . . 0.0 109.492 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.9 126.92 51.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -79.82 76.05 6.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.071 0.463 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -87.01 131.64 34.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.625 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -72.27 152.48 42.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.101 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -80.14 128.52 33.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.34 90.77 3.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.074 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -84.29 138.44 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -84.74 75.58 10.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.403 0.621 . . . . 0.0 110.987 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.2 tt -119.42 109.15 25.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.324 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 143.28 49.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.339 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -88.39 6.23 38.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.629 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.937 179.691 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.044 0.45 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -138.17 139.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.339 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -153.48 138.59 17.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.849 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 23' ' ' LEU . 46.6 mt -135.23 117.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.304 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 39.7 tttp -107.76 111.6 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.153 0.501 . . . . 0.0 111.277 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.04 67.23 0.31 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.73 -70.67 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.602 -0.299 . . . . 0.0 111.584 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.545 ' H ' HG23 ' A' ' 17' ' ' THR . 11.0 mtpt -117.77 17.2 14.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.622 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 2.5 m120 -128.42 -166.39 1.62 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.949 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.76 -97.54 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.148 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 55' ' ' ILE . 41.5 tp -161.96 99.95 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.79 106.04 13.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.022 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 14' ' ' ILE . 1.3 pt? -126.7 147.01 49.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.057 0.456 . . . . 0.0 110.969 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -140.52 113.94 8.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.248 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -108.34 128.71 54.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.3 78.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.708 0.29 . . . . 0.0 110.275 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -155.84 135.96 12.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.444 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 143.93 34.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.8 m 58.84 20.42 7.98 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.454 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -116.73 152.92 33.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -77.08 146.86 37.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.003 0.43 . . . . 0.0 111.055 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -116.9 30.76 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.6 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.753 ' HG3' HD22 ' A' ' 34' ' ' LEU . 12.1 pt-20 -61.29 -28.4 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.753 HD22 ' HG3' ' A' ' 33' ' ' GLU . 1.8 mm? -85.47 -3.8 58.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.1 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 5.9 tp -103.87 -50.84 3.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.5 70.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.73 -53.82 40.42 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.426 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD22 HD12 ' A' ' 14' ' ' ILE . 7.1 mp -66.4 -35.94 81.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.474 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -51.26 60.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.694 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.44 -42.26 62.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.13 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ttt -56.37 -48.5 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.936 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.53 -41.58 79.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 m -60.55 -37.87 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.4 mt -79.14 -35.83 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.013 0.435 . . . . 0.0 110.25 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -65.63 -67.56 0.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.538 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -165.61 119.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.669 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -117.75 18.89 14.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.92 0.867 . . . . 0.0 108.703 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.497 ' H ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -80.91 98.7 8.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.183 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.22 -52.08 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.86 -31.95 6.7 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -44.78 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.435 0.636 . . . . 0.0 110.266 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 86.53 0.07 OUTLIER Glycine 0 C--N 1.312 -0.784 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.256 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.43 113.13 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.26 0.552 . . . . 0.0 111.649 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -89.93 97.13 11.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.793 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 21' ' ' LEU . 6.8 mt -102.97 70.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.435 0.636 . . . . 0.0 109.604 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.8 m -106.58 102.21 11.61 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.77 94.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -102.05 92.4 4.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.159 0.505 . . . . 0.0 110.637 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -93.37 83.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.53 -179.567 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -83.13 68.73 9.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.41 0.624 . . . . 0.0 109.901 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.02 -68.7 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.803 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.84 -121.1 3.85 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -85.69 22.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.33 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.1 t80 56.02 73.87 0.41 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.342 0.592 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.4 tp -80.09 151.82 29.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -78.35 81.22 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.5 -27.59 68.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.858 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 11.5 mm100 -73.52 -36.89 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.997 0.427 . . . . 0.0 110.54 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.7 mm-40 -86.01 -31.75 21.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.383 0.611 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 40.9 tt0 -62.96 -41.07 99.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.191 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 10.3 pt20 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.452 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -79.57 -29.61 41.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.21 -31.86 72.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 6.1 mm-40 -54.08 -32.96 56.31 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.387 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.69 -34.85 79.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.148 0.499 . . . . 0.0 110.652 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -88.49 -27.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -60.84 -27.12 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.996 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -71.23 -13.08 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -143.12 39.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.36 0.6 . . . . 0.0 109.97 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 48.4 pttt -75.48 62.12 1.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.373 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.89 -11.94 37.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.759 0.79 . . . . 0.0 109.25 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.443 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -86.6 175.17 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.74 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -84.94 73.65 10.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.903 0.382 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.6 p -100.78 130.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.686 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -156.02 105.45 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -109.35 133.54 52.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.5 tt -157.77 135.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.455 . . . . 0.0 110.874 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.4 p-10 -110.51 -153.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 CA--C 1.532 0.278 0 O-C-N 122.107 -0.371 . . . . 0.0 111.429 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.7 p90 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.834 0.349 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.09 136.71 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.064 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -155.67 143.46 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.905 0.383 . . . . 0.0 110.272 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.79 117.06 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.88 105.8 15.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.966 0.412 . . . . 0.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.18 89.27 0.15 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -124.6 -82.69 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.996 0.427 . . . . 0.0 111.182 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -111.26 25.83 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.0 109.684 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -130.53 -165.05 1.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.575 -1.193 . . . . 0.0 108.543 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.56 -87.58 0.39 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.381 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HB3' HG23 ' A' ' 55' ' ' ILE . 37.9 tp -170.58 110.74 0.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.827 0.346 . . . . 0.0 110.617 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 90.36 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.78 144.84 34.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.02 0.438 . . . . 0.0 111.08 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -149.61 111.83 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.83 125.08 51.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.12 81.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.633 0.254 . . . . 0.0 111.335 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 31.3 t0 -154.52 145.58 22.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -107.5 144.63 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.6 m 68.09 -2.7 1.42 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 66.7 m -87.36 158.65 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.607 0.242 . . . . 0.0 110.575 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -85.82 139.85 30.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.952 0.406 . . . . 0.0 110.487 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -100.05 24.06 9.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.757 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -57.33 -37.23 72.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.05 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.8 mm? -76.77 -36.67 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.109 0.481 . . . . 0.0 109.815 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.9 tp -66.04 -54.9 20.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.735 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.17 -40.71 86.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.353 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.52 -50.28 61.01 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.02 -35.66 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.66 0.267 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -55.06 39.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -63.73 -37.05 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.87 -52.57 59.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.73 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.18 -36.66 82.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -58.49 -25.2 62.1 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -113.34 8.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.416 0.627 . . . . 0.0 110.288 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.87 -55.74 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.21 106.67 4.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.314 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.8 31.88 2.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.633 0.73 . . . . 0.0 109.437 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.4 121.74 45.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.698 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.464 ' HB3' ' N ' ' A' ' 53' ' ' GLN . 43.0 t0 -139.23 126.39 21.26 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.38 -11.79 76.37 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.325 -0.464 . . . . 0.0 112.785 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 12.69 25.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 110.092 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.67 99.14 2.02 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.597 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' N ' ' HB3' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -60.93 114.0 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.132 0.491 . . . . 0.0 111.476 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -90.7 106.81 18.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.479 HG23 ' HB3' ' A' ' 21' ' ' LEU . 20.9 mt -107.51 93.26 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -110.84 108.18 17.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -96.94 93.61 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.736 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -103.2 90.71 3.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.963 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -97.99 80.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.972 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -86.91 66.85 9.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.439 0.637 . . . . 0.0 109.98 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 10.8 mt -88.15 -11.01 48.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.996 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.86 -137.18 28.17 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.775 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -78.21 33.96 0.2 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -77.75 -13.86 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.41 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.8 t80 65.35 80.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.08 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -92.95 127.46 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.282 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -75.59 92.13 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.87 -20.24 49.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.824 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' A' ' 68' ' ' LYS . 31.0 mm-40 -59.53 -42.58 92.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.658 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.2 mm100 -64.56 -45.81 85.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 3.6 tt0 -64.06 -45.43 88.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.83 -47.58 84.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.226 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.2 pt20 -58.6 -32.65 69.19 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -84.44 -29.96 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.648 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.2 m -74.15 -28.06 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -49.62 -37.81 29.46 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.73 -29.17 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.621 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.58 -27.54 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.998 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -19.37 64.32 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.39 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.175 0.512 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -153.03 46.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.331 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -78.69 63.77 3.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.264 0.554 . . . . 0.0 112.205 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.22 -16.09 58.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.817 0.818 . . . . 0.0 109.1 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.538 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -75.42 169.79 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.315 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -88.17 71.45 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.471 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.4 p -99.66 129.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.593 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -142.2 102.82 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.172 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -99.81 135.77 40.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.335 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.5 tt -152.49 139.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.118 0.485 . . . . 0.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' HA ' HG23 ' A' ' 59' ' ' VAL . 3.2 p30 -111.2 -169.23 1.42 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.035 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.629 0.252 . . . . 0.0 110.744 179.489 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.711 0.291 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -160.96 131.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.829 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -155.25 139.93 17.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mt -132.06 104.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -94.34 108.92 20.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.22 31.97 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.67 -85.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.255 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -105.34 15.71 26.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.332 0.587 . . . . 0.0 110.181 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.43 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m120 -119.53 178.55 4.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.301 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.24 -80.9 0.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.389 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 60.8 tp -171.52 98.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.226 0.536 . . . . 0.0 110.747 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.86 104.27 11.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD21 HG22 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -118.02 139.8 50.67 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.003 0.43 . . . . 0.0 110.515 -179.175 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -139.56 123.1 17.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.377 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 tp -129.73 135.76 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.817 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -124.91 63.54 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.33 109.65 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.122 0.487 . . . . 0.0 110.18 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.61 146.17 24.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.766 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.5 m 64.79 34.84 9.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.514 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -132.62 166.49 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.842 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -90.7 118.42 30.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -89.82 28.41 1.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.685 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.19 -39.28 63.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.751 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.6 mt -70.66 -31.7 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.39 -46.26 20.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.462 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.36 -41.5 89.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.279 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.62 -50.3 61.17 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.911 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.73 -39.54 84.26 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -57.9 -55.41 35.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.58 -42.14 95.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.004 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.0 ttt -60.18 -57.94 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.868 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.04 -39.34 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 m -51.63 -39.89 58.9 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mt -97.44 -22.94 4.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.674 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 -63.09 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.88 125.02 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 111.619 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -135.71 24.05 3.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.67 0.748 . . . . 0.0 109.316 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.72 84.49 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.235 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.97 -47.62 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.342 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.09 -32.34 7.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.049 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.15 -45.02 4.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.42 83.17 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.27 115.84 2.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 0.0 112.231 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -96.83 112.48 24.21 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.699 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 17.4 mt -115.18 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.562 0.696 . . . . 0.0 109.608 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -101.7 98.75 8.99 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.063 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG22 HD21 ' A' ' 23' ' ' LEU . 21.4 t -85.84 95.19 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.506 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -104.07 96.37 6.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -104.22 98.98 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 68.84 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.524 HD13 HH11 ' A' ' 64' ' ' ARG . 8.7 mt -83.25 -14.06 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.532 -178.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.79 -135.05 28.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.69 20.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.524 HH11 HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.51 -37.07 77.34 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 179.42 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.2 t80 62.02 86.44 0.11 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.658 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 64' ' ' ARG . 58.2 tp -103.52 160.1 15.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.528 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -76.77 68.12 2.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -34.61 14.22 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.063 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -30.08 70.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.082 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 7.0 mm100 -69.84 -39.61 76.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.616 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 4.2 mp0 -72.94 -37.22 67.23 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 35.5 tt0 -63.99 -46.54 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.653 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.8 pp0? -56.29 -31.12 63.34 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.7 pp -87.28 -22.0 25.44 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.603 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.7 m -81.46 -20.5 40.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.187 0.518 . . . . 0.0 110.005 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 25.7 mm-40 -56.98 -27.58 61.52 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.913 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.64 -40.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.57 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.83 -32.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.069 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -60.68 -24.9 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.205 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m -59.85 -27.95 67.09 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.008 0.433 . . . . 0.0 111.412 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -152.05 57.45 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.787 0.803 . . . . 0.0 109.175 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -77.87 79.06 4.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.167 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -81.87 -18.41 43.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.751 0.786 . . . . 0.0 109.38 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.31 167.95 20.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.511 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -84.1 73.55 10.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.454 0.645 . . . . 0.0 110.186 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 13.7 p -93.16 141.93 13.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.457 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -155.14 86.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.997 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 m -98.26 116.76 31.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.76 146.1 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.801 0.334 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -117.03 -146.13 0.4 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 118.365 0.53 . . . . 0.0 110.931 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.91 136.67 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.017 0.437 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -132.32 135.16 46.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mt -133.59 93.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.265 0.555 . . . . 0.0 109.7 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -87.97 110.45 20.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.613 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.37 30.43 2.42 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.172 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.15 115.5 30.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.473 0.178 . . . . 0.0 111.188 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.76 43.41 30.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.12 -154.41 0.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.781 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 47' ' ' TYR . . . -99.73 -83.99 1.77 Allowed Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.95 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 39' ' ' GLN . 37.0 tp -168.96 94.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.036 0.446 . . . . 0.0 110.73 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.49 99.44 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.896 0.379 . . . . 0.0 109.983 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.64 152.9 40.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.081 0.467 . . . . 0.0 111.182 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -151.45 120.14 6.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.699 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.8 127.31 51.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.7 73.32 1.12 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -144.34 138.51 27.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.03 147.32 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m 61.55 25.76 15.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.91 -1.041 . . . . 0.0 113.067 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -114.68 167.49 10.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.55 0.214 . . . . 0.0 110.542 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -77.08 146.16 37.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -126.42 16.28 7.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.03 -37.82 75.07 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.243 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.2 mm? -73.51 -38.71 65.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 109.991 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.12 -48.26 82.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.564 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 15.5 t0 -62.65 -47.13 85.05 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.148 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.75 -25.48 58.89 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.952 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -81.65 -51.46 8.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.613 0.244 . . . . 0.0 110.852 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.599 ' HB2' HD21 ' A' ' 21' ' ' LEU . 1.7 pp0? -68.36 -34.58 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.628 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -74.22 -6.37 47.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 111.302 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 ttm -114.41 -49.12 2.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.517 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.27 -33.46 71.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -65.86 -11.41 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.116 0.26 . . . . 0.0 111.441 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -115.09 -30.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.109 0.481 . . . . 0.0 110.144 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.07 -58.31 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.761 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.45 99.54 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 3.8 p90 -133.66 23.15 3.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.547 0.689 . . . . 0.0 109.227 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 102.59 12.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.995 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 38.8 t70 -120.27 -177.5 3.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.415 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -76.11 56.07 3.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 62.78 26.29 15.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.275 0.63 . . . . 0.0 111.506 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.5 22.35 3.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.133 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.73 125.26 23.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.383 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -100.32 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.083 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 44.2 mt -112.77 88.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -121.3 103.67 9.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -85.93 95.59 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.601 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -94.12 83.2 4.24 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.982 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.8 74.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.12 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -85.75 62.02 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.546 0.688 . . . . 0.0 109.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.29 -25.41 46.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.202 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.64 -128.97 8.82 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.4 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -77.96 28.67 0.17 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.59 -25.7 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 58.93 64.38 1.43 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.081 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.7 tp -81.91 146.85 29.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.907 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -79.64 70.59 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -15.48 2.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.75 -22.57 65.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.001 0.429 . . . . 0.0 110.115 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.649 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 5.3 mm100 -73.8 -53.1 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.396 0.617 . . . . 0.0 109.519 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.588 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 24.2 mp0 -65.54 -34.0 77.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.194 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 tp10 -59.01 -46.75 87.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 7.9 pt20 -62.08 -36.76 82.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -80.15 -30.61 38.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.506 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -70.91 -27.72 64.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 47.2 mm-40 -55.62 -31.7 62.5 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.128 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.91 -46.35 88.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.17 0.509 . . . . 0.0 110.206 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.91 -32.92 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.025 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -63.27 -20.53 65.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.702 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.412 ' HB2' ' HD3' ' A' ' 81' ' ' LYS . 37.5 m -66.59 -24.78 66.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.172 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 80' ' ' SER . 0.9 OUTLIER -149.31 60.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.279 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 1.1 pttt -74.27 75.02 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.56 0.695 . . . . 0.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -86.11 -32.41 21.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.941 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.512 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -72.88 167.51 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.597 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.95 73.84 6.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 109.618 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 14.4 p -109.13 134.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.175 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.27 117.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.367 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.3 m -108.9 146.26 34.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.7 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -153.86 138.74 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.966 0.412 . . . . 0.0 110.57 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -122.55 -176.41 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.655 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.811 0.339 . . . . 0.0 111.017 179.267 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--O 1.236 0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.39 144.28 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.461 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -138.03 134.1 34.38 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -131.96 99.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.001 0.429 . . . . 0.0 110.554 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -93.15 98.48 11.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.34 87.82 0.27 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.777 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -175.25 111.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 61.44 40.74 13.6 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.642 0.734 . . . . 0.0 110.776 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -161.03 -157.19 0.5 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.77 -87.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.905 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 55' ' ' ILE . 19.4 tp -161.82 95.91 1.0 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 97.0 6.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.213 0.53 . . . . 0.0 109.965 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 23' ' ' LEU . 2.3 pt? -128.96 152.32 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -147.69 123.65 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -116.26 136.07 53.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.75 70.71 1.07 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.187 0.518 . . . . 0.0 110.882 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t0 -129.02 176.63 7.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.576 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.19 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.334 -0.246 . . . . 0.0 110.334 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t 64.2 14.42 8.62 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.849 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.53 -174.29 2.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -120.79 119.73 33.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD2' HD21 ' A' ' 61' ' ' LEU . 1.6 m-20 -74.3 37.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.5 -44.27 96.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.67 0.271 . . . . 0.0 110.865 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.8 -33.03 70.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.528 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.08 -49.45 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.373 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.14 -40.11 80.48 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.595 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.66 75.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.314 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.39 -38.64 68.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 110.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -58.54 -54.57 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -24.93 64.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.234 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.11 -57.52 3.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.35 -39.42 83.18 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 m -60.1 -25.74 65.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mt -106.3 -20.67 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.241 0.544 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -83.81 -46.45 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.631 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -153.46 96.57 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.161 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -120.91 8.81 10.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.191 0.52 . . . . 0.0 110.434 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -126.3 118.37 24.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.396 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -104.38 -60.65 1.56 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.99 -28.53 5.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.736 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -103.92 -29.19 11.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.076 0.465 . . . . 0.0 109.964 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.6 80.73 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.301 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -65.81 110.08 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.065 0.459 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -85.08 112.43 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.654 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 mt -114.63 91.18 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.211 0.529 . . . . 0.0 109.955 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -121.07 115.24 22.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.937 0.399 . . . . 0.0 110.531 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 t -106.08 101.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.608 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -110.09 94.81 5.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.23 87.78 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.418 0.628 . . . . 0.0 110.139 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -85.78 63.62 8.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.673 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 14.5 mt -86.57 -54.12 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.143 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.76 -113.76 4.82 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.951 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.87 29.92 0.2 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 61' ' ' LEU . 6.3 tpm_? -81.38 -35.5 30.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 58.06 48.3 13.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.516 0.674 . . . . 0.0 109.989 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.16 144.23 57.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.207 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -77.33 71.81 3.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.858 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.622 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 2.2 pttt -54.06 -17.82 3.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.443 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.073 0.463 . . . . 0.0 110.046 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 16.4 mm100 -68.6 -36.39 78.62 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.168 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.622 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 17.2 mp0 -83.85 -36.78 23.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.419 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -61.55 -42.14 98.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.454 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.7 pp0? -57.93 -36.32 72.34 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 1.9 pp -83.77 -33.18 25.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.217 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.7 m -65.95 -31.66 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.483 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -56.61 -27.61 58.59 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.594 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.5 -37.93 88.23 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.473 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.81 -16.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.212 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.589 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -69.33 -11.79 61.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 111.241 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.88 37.9 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.966 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -75.62 52.23 0.64 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.086 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.74 -23.57 53.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.86 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -70.47 173.22 7.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.874 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -81.9 69.74 8.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.041 0.448 . . . . 0.0 110.037 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.654 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.4 p -108.38 126.64 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.341 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.52 103.36 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -97.58 130.06 44.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.358 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.3 tt -138.68 137.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -114.85 -168.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 p90 . . . . . 0 C--O 1.236 0.346 0 CA-C-O 120.927 0.394 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.24 143.22 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -146.16 134.79 22.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mt -134.92 116.79 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -127.53 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.905 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.19 45.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.653 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -94.76 -33.68 12.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 111.593 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -132.35 9.59 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.089 0.471 . . . . 0.0 110.951 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -136.24 -177.17 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.27 -86.03 0.03 OUTLIER Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.004 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HB3' HG23 ' A' ' 55' ' ' ILE . 53.4 tp -170.7 109.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.891 0.376 . . . . 0.0 110.984 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.69 102.02 8.54 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -123.77 149.72 45.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.37 . . . . 0.0 110.984 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -155.63 125.58 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.436 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 tt -131.79 129.9 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -122.05 82.33 1.94 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.52 0.2 . . . . 0.0 110.785 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -158.28 126.48 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 110.393 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.23 159.0 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.142 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 m 68.96 11.07 8.24 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.242 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -115.57 166.93 11.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.1 140.17 30.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.479 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 19.78 10.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.916 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.38 -36.57 80.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -73.74 -14.58 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.04 -49.01 6.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 21.7 t0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.34 59.99 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.84 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.17 -30.77 27.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG2' HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -57.77 -47.65 81.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.343 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -8.88 59.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.375 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 ttt -90.84 -59.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.59 -39.51 80.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -57.56 -42.02 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.126 0.489 . . . . 0.0 111.221 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.3 -34.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.11 -59.1 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.506 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.05 105.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.953 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -109.78 20.3 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.492 0.663 . . . . 0.0 109.24 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.62 103.68 13.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -127.21 124.13 38.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.48 -12.12 84.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.329 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -96.25 0.03 50.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.015 0.436 . . . . 0.0 109.865 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.13 95.85 2.41 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.42 99.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.0 111.837 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -89.99 112.14 23.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.936 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.503 HG23 ' HB3' ' A' ' 21' ' ' LEU . 63.5 mt -106.58 95.99 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 m -114.12 105.04 12.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.132 0.492 . . . . 0.0 111.762 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 HD11 ' A' ' 23' ' ' LEU . 19.7 t -91.24 88.39 2.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -93.74 85.76 4.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 111.105 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.86 68.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.624 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -83.77 59.41 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.329 0.585 . . . . 0.0 109.688 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.98 -68.54 0.54 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.745 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.08 -141.23 12.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.54 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.31 30.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -9.54 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.8 t80 65.98 80.06 0.23 Allowed 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.684 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.5 156.55 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.279 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.19 94.6 5.1 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.838 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.527 ' HE3' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -59.86 -18.71 46.38 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.902 0.382 . . . . 0.0 110.453 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.527 ' OE2' ' HE3' ' A' ' 68' ' ' LYS . 55.8 mm-40 -63.59 -35.08 79.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.491 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.34 -45.37 73.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.796 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' ' HA ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -67.47 -44.24 79.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.122 0.487 . . . . 0.0 109.691 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 18.0 tt0 -56.85 -52.24 65.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.639 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -59.44 -39.86 84.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -75.11 -31.96 61.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.002 0.43 . . . . 0.0 110.473 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -71.09 -32.79 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.576 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 9.1 mm-40 -52.12 -29.42 21.71 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.23 -37.59 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.831 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.43 -18.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.164 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.49 71.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -25.08 67.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.44 0.638 . . . . 0.0 110.938 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -136.56 53.4 1.92 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -73.83 56.19 0.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.726 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.66 -29.49 51.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -69.85 152.02 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.558 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.33 86.22 6.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.185 0.517 . . . . 0.0 110.742 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 12.3 p -103.91 138.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -156.08 104.85 2.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 m -103.57 155.23 18.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 tt -155.37 117.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.346 0.593 . . . . 0.0 109.751 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.98 -174.53 2.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.017 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 179.11 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.0 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -145.71 138.28 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.259 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -133.45 134.39 43.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.965 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.57 124.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.566 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 23.8 pttt -138.66 135.79 35.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.147 0.499 . . . . 0.0 110.239 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.41 31.43 0.58 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.231 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -95.16 115.1 26.99 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.623 -0.34 . . . . 0.0 110.409 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 mttp 62.66 15.55 8.13 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.826 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 4.8 m120 -130.58 177.78 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.274 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.86 -84.83 0.21 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.538 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 39' ' ' GLN . 44.8 tp -170.36 109.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.967 0.413 . . . . 0.0 110.631 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -127.51 112.96 15.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.861 0.363 . . . . 0.0 110.514 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD21 HG22 ' A' ' 57' ' ' VAL . 1.2 pt? -140.84 153.4 45.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.431 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -150.82 128.16 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.17 129.01 51.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.27 103.14 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.406 0.146 . . . . 0.0 111.191 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.601 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.5 t70 -166.05 -165.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' OD1' ' A' ' 63' ' ' ASN . . . -162.85 142.79 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.65 31.87 21.16 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 110.695 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 m -122.23 156.3 34.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.44 156.85 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.398 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -105.68 17.89 23.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.74 -42.2 67.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -87.37 1.29 53.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.382 . . . . 0.0 111.134 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -103.33 -50.83 3.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.962 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 6.4 t70 -57.36 -48.14 79.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.722 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.55 -28.98 38.65 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.191 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.647 0.261 . . . . 0.0 110.795 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.851 ' HB2' HD21 ' A' ' 21' ' ' LEU . 2.3 pp0? -62.36 -35.99 80.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.598 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 3.4 t-20 -63.77 -54.11 40.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.03 -41.32 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 23.0 mt -59.6 -43.68 93.64 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m -65.46 -14.28 60.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.783 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.39 -43.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.445 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 pt-20 -73.53 -35.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.55 97.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -114.62 8.39 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.627 0.727 . . . . 0.0 109.329 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.27 90.16 5.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 2.8 t70 -69.09 -54.06 16.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.05 -28.11 8.2 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.15 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -118.6 -52.1 2.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 0.0 110.487 -178.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.85 81.59 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 98.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.274 0.559 . . . . 0.0 111.868 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -87.33 101.53 13.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.42 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.79 HG23 ' HB3' ' A' ' 21' ' ' LEU . 32.2 mt -102.82 75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.5 m -111.46 97.85 7.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.015 0.436 . . . . 0.0 112.075 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG22 HD21 ' A' ' 23' ' ' LEU . 21.7 t -82.88 89.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -99.73 99.5 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.76 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.5 153.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.889 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' HD2' ' OG ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.1 71.9 1.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.322 179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.601 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 17.4 mt -106.77 -52.44 2.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.568 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 85.15 -86.41 1.56 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.735 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.41 ' OD1' ' HB1' ' A' ' 28' ' ' ALA . 46.0 p-10 -84.38 46.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.256 0.55 . . . . 0.0 110.891 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -22.8 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.951 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 49.0 48.38 20.8 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.48 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 tp -99.27 137.39 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -67.87 116.59 8.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.74 63.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 110.317 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -64.36 -29.77 70.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.073 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.3 mm100 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.821 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 34.3 mt-10 -73.63 -38.9 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.89 -44.62 96.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.858 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.9 pt20 -62.48 -23.82 67.13 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -95.99 -35.66 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.245 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -73.21 -20.11 60.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.44 -36.11 61.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.787 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.61 -26.27 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -97.21 -31.18 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.584 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -56.26 -32.16 64.25 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -14.7 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.836 0.35 . . . . 0.0 111.323 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -144.45 38.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 110.044 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 21.6 pttp -81.02 52.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.52 0.676 . . . . 0.0 110.991 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.41 4.78 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.226 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -96.67 172.93 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.03 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -82.71 62.43 6.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -97.29 138.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 107.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -103.11 148.62 25.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.277 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.4 tt -170.61 155.61 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.62 159.34 40.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.501 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 CA-C-O 120.984 0.421 . . . . 0.0 111.156 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.7 p90 . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.744 0.306 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.15 148.26 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -144.82 131.87 20.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mt -138.68 120.71 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.979 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -131.81 137.92 48.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.529 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -164.43 48.18 0.3 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.026 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 t -100.36 108.36 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.631 -0.334 . . . . 0.0 110.263 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt 64.42 14.08 8.57 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.888 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.543 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 15.5 m120 -127.87 -179.32 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.05 -95.88 0.03 OUTLIER Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.58 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HB3' HG23 ' A' ' 55' ' ' ILE . 30.7 tp -168.11 101.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.202 0.525 . . . . 0.0 110.449 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -116.52 116.81 28.32 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -143.5 154.46 43.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.957 0.408 . . . . 0.0 110.597 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 42.3 t60 -152.21 135.9 16.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.115 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.55 124.42 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.067 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -105.7 108.5 20.05 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t70 -170.25 -167.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -167.38 140.51 3.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.562 0.22 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m 62.62 23.56 14.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.43 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.82 167.63 10.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.44 144.06 26.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.469 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -108.72 16.67 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.23 -36.93 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 111.601 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.81 -20.79 61.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.203 0.525 . . . . 0.0 110.386 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tp -85.56 -43.27 13.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.592 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 11.0 t70 -59.47 -47.3 86.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.53 59.54 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.602 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.16 -53.23 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 111.211 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HB2' HD21 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -64.2 -37.98 89.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.608 -178.712 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -63.92 -49.31 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.2 ttt -62.1 -49.42 75.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.089 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.86 -47.86 84.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 m -65.3 -12.86 55.98 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -92.29 -48.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.0 -27.7 16.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.2 85.04 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.132 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -120.31 11.77 11.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.043 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 m -101.04 99.83 10.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.543 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 5.5 t70 -83.04 -44.48 15.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.405 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.8 -43.57 1.65 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.659 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -99.82 -45.13 5.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.366 0.603 . . . . 0.0 110.046 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.48 92.21 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.404 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.07 94.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.109 0.48 . . . . 0.0 110.972 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -78.71 90.62 4.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.071 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.595 HG23 ' HB3' ' A' ' 21' ' ' LEU . 43.8 mt -96.05 85.64 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 m -118.2 100.46 7.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.151 0.501 . . . . 0.0 111.765 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.69 93.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 67.3 m170 -100.13 97.09 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.507 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -94.78 135.97 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.45 60.66 0.94 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 36.0 mt -100.87 -49.7 4.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.111 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 87.79 -96.55 2.19 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.687 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -87.11 60.24 6.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.745 0.784 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 17.4 ptt-85 -84.23 -18.97 34.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.537 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.1 t80 50.58 57.71 6.31 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.9 tp -114.53 142.08 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.5 121.06 21.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -25.23 68.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.126 0.489 . . . . 0.0 110.291 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 mp0 -60.49 -35.48 76.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.005 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 17.1 mm100 -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 8.9 mt-10 -85.57 -43.26 13.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.707 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.75 -34.07 75.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 22.5 pt20 -60.07 -35.89 76.17 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.1 pp -88.79 -25.08 22.44 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.6 m -69.8 -21.59 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.675 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.23 -31.39 63.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.308 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.52 -29.62 68.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.303 0.573 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.27 -26.86 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.708 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -27.26 62.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 p -73.33 -16.66 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 0.0 110.731 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -145.79 42.3 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.389 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -84.07 46.78 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.313 0.578 . . . . 0.0 111.11 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.05 -0.62 57.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.884 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -92.24 175.84 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.025 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.64 73.94 6.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -110.44 125.33 67.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -152.54 113.54 4.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -106.16 141.81 36.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tp -160.34 146.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.461 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.596 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 29.1 t0 -127.57 165.9 19.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.532 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.9 m . . . . . 0 C--N 1.323 -0.562 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.2 p90 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.17 143.9 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.465 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -152.44 139.93 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.406 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.8 127.16 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.159 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.93 106.26 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.396 . . . . 0.0 110.112 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.83 79.8 0.19 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -130.88 -69.87 0.63 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.755 0.312 . . . . 0.0 111.46 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -110.29 40.42 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.746 0.784 . . . . 0.0 109.147 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -158.68 -162.79 1.15 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.704 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.52 -95.18 0.32 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.045 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 55' ' ' ILE . 29.7 tp -163.17 101.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.284 0.564 . . . . 0.0 110.308 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.31 101.25 8.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.925 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 23' ' ' LEU . 2.5 pt? -133.9 154.41 51.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.79 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -153.45 128.36 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.584 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -116.39 132.63 56.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.52 76.4 1.41 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.41 127.65 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.057 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.98 153.96 19.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.558 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.7 m 62.21 27.04 16.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.653 0.381 . . . . 0.0 111.528 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.9 m -127.4 158.81 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -92.38 128.23 38.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.007 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.52 34.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.401 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -60.15 -35.43 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.296 0.569 . . . . 0.0 110.567 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.23 -3.5 57.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.95 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -103.98 -52.83 2.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.501 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.59 78.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.291 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.46 99.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.3 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.54 -31.56 32.65 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.702 -0.293 . . . . 0.0 110.558 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -54.47 46.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.148 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -68.61 -34.95 76.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.8 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.3 tpp -61.73 -56.23 21.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.697 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.37 -36.52 84.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -61.35 -21.44 64.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 111.51 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -104.59 -34.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 110.348 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.96 -57.65 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.495 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -155.42 118.0 4.23 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.064 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -145.97 26.33 1.24 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.43 0.633 . . . . 0.0 109.539 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -104.16 84.11 2.18 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.655 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' HD3' ' A' ' 51' ' ' LYS . 25.8 t0 -96.04 145.58 25.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.076 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -95.65 -7.98 58.63 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HD3' ' OD1' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -107.0 18.05 22.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.98 0.419 . . . . 0.0 109.907 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.58 91.68 1.1 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.009 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.64 117.75 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.166 0.507 . . . . 0.0 111.795 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -93.41 107.59 19.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.674 HG23 ' HB3' ' A' ' 21' ' ' LEU . 9.9 mt -112.02 67.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.481 0.657 . . . . 0.0 109.821 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -95.93 90.68 5.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.188 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 88' ' ' SER . 41.7 t -81.43 102.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.897 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -106.52 93.62 4.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -95.64 82.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.211 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -94.37 74.87 3.89 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.631 HD13 ' HG2' ' A' ' 64' ' ' ARG . 1.4 mt -81.71 -65.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.977 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.87 -79.69 0.36 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.676 -0.774 . . . . 0.0 113.046 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.6 35.96 3.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 110.961 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.631 ' HG2' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -86.35 -23.46 26.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 t80 69.57 70.13 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.101 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 tp -69.44 141.22 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.29 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -85.0 93.82 8.67 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -28.09 68.46 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.88 -35.47 76.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.0 110.147 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -71.52 -36.37 71.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.19 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 7.7 mm-40 -78.34 -38.56 41.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.44 0.638 . . . . 0.0 110.524 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.3 tt0 -61.7 -48.32 81.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.636 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -32.16 65.66 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -85.59 -32.52 22.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -70.18 -26.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.48 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 7.3 mm-40 -51.98 -37.33 52.73 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.376 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.73 -49.75 75.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.02 -29.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.25 56.15 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.843 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -142.87 50.42 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.959 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -78.75 59.51 2.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.465 0.65 . . . . 0.0 111.468 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -77.31 -16.25 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.741 0.782 . . . . 0.0 109.226 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.62 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -75.61 167.8 21.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.853 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.8 68.39 10.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 0.0 109.936 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 2.9 p -96.65 119.84 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.622 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -140.84 94.68 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.138 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -95.89 129.68 43.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.109 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.9 tt -148.94 135.28 12.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.978 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.2 p-10 -104.5 -176.55 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.894 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.603 0.24 . . . . 0.0 110.763 179.413 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.4 136.23 5.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.238 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 t -153.45 143.37 22.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.95 110.75 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -109.58 122.93 48.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.88 77.84 0.1 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.824 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 t -144.72 -48.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.61 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -107.88 -9.41 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 110.74 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -126.15 -158.62 0.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.96 -106.96 0.12 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.525 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.516 ' HB3' HG23 ' A' ' 55' ' ' ILE . 51.3 tp -148.84 105.18 3.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.121 0.486 . . . . 0.0 110.385 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -119.49 107.94 13.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.141 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.43 151.82 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.898 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 6.3 t-80 -152.02 128.17 10.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.501 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -126.91 133.84 50.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.14 60.21 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.788 ' OD2' ' HB2' ' A' ' 30' ' ' SER . 2.1 t70 -123.95 141.52 51.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.15 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.75 147.76 48.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.465 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.0 m 73.99 -29.44 0.2 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.679 0.792 . . . . 0.0 112.382 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.788 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 3.6 m -81.51 176.14 9.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -108.68 145.5 34.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.473 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 15.3 p-10 -100.75 49.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.983 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -33.37 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.512 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.73 -15.86 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.4 . . . . 0.0 111.27 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 11.7 tp -85.52 -52.67 5.68 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.694 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -32.41 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.561 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -50.75 61.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.016 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.3 -35.81 71.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.713 0.292 . . . . 0.0 110.389 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -54.84 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.07 -39.31 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.462 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -56.75 14.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.14 -36.32 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 t -64.85 -24.36 67.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -103.08 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 110.774 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -73.07 -66.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.232 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.14 118.32 3.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.826 0.346 . . . . 0.0 111.437 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -134.24 24.66 3.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.8 0.809 . . . . 0.0 109.117 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.33 90.74 8.19 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.809 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.61 -67.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.734 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.96 -40.82 1.92 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.296 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.4 0.619 . . . . 0.0 110.85 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.39 79.16 0.05 OUTLIER Glycine 0 C--N 1.314 -0.64 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 119.39 7.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.061 0.458 . . . . 0.0 111.534 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -94.19 102.56 14.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.8 mt -102.61 72.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -108.55 107.13 17.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.795 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -91.54 100.26 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.408 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 55.8 m170 -99.23 89.38 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.02 0.438 . . . . 0.0 110.573 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -96.7 74.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.476 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -79.57 64.34 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 110.101 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 8.5 mt -74.67 -75.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.621 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.57 -121.68 3.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.758 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -81.42 22.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.039 0.447 . . . . 0.0 111.064 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -65.89 -36.64 83.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.965 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 t80 54.56 66.1 1.33 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.479 0.657 . . . . 0.0 110.29 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.09 157.8 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.86 84.41 2.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.245 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -51.74 -42.56 62.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.38 -179.514 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -60.87 -28.62 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.4 mm100 -72.95 -38.47 66.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.687 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 22.3 mm-40 -79.78 -30.2 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.266 0.555 . . . . 0.0 109.826 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.1 tp10 -62.68 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 18.6 pt20 -59.48 -34.64 72.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.555 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.3 pp -81.34 -31.01 33.64 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.103 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -67.04 -31.68 72.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.795 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 11.2 mm-40 -53.52 -35.36 60.58 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.887 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.62 -48.13 82.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.597 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.38 -28.73 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.592 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.86 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.591 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 m -70.75 -21.93 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -149.1 53.34 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.523 0.678 . . . . 0.0 109.759 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -80.35 60.97 3.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.82 -27.96 36.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.326 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.555 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -75.66 173.88 10.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.54 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -83.81 69.38 10.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 0.0 110.551 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.556 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -96.15 125.57 48.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.358 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -154.39 109.82 3.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.85 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -107.12 134.96 49.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.164 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.79 131.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.976 0.417 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.3 p-10 -113.76 -161.57 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.657 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 p90 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.75 0.309 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -137.3 147.62 26.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.444 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -145.45 137.09 25.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 23' ' ' LEU . 11.9 mt -139.22 119.42 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.298 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -120.26 118.32 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.56 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -130.26 28.58 3.82 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.973 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -123.93 149.72 45.58 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.763 -0.257 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 57.32 23.66 9.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.556 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.456 ' CG ' ' H ' ' A' ' 20' ' ' GLY . 7.8 t-20 -173.56 -150.26 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.456 ' H ' ' CG ' ' A' ' 19' ' ' ASN . . . -96.38 -91.4 1.82 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' A' ' 55' ' ' ILE . 18.4 tp -154.63 109.52 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.63 102.25 8.11 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 23' ' ' LEU . 2.5 pt? -130.52 150.36 51.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.01 0.434 . . . . 0.0 111.183 -178.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -145.99 130.51 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.3 tp -120.31 136.39 54.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.57 77.16 1.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.728 0.299 . . . . 0.0 111.337 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 10.2 t70 -164.24 148.1 9.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.54 21.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.453 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.584 ' H ' ' HB2' ' A' ' 64' ' ' ARG . 80.3 m 52.61 34.77 16.47 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.971 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.525 ' O ' ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -125.95 137.2 53.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.084 0.469 . . . . 0.0 112.217 -179.042 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.41 95.87 8.73 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -89.77 82.67 6.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.758 0.79 . . . . 0.0 110.265 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.43 -17.51 63.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.604 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.22 -29.82 34.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.995 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -73.7 -50.43 20.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.099 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.99 61.43 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.64 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.09 -34.57 73.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.63 -0.137 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -58.16 8.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.211 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -65.7 -33.15 75.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 ttm -65.23 -56.45 12.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.013 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.439 HD13 ' HA3' ' A' ' 16' ' ' GLY . 27.1 mt -63.79 -43.85 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -61.14 -28.94 69.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 19.3 mm -91.64 -33.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.124 0.487 . . . . 0.0 111.014 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -66.19 -59.11 4.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.911 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.39 122.87 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.744 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -130.47 23.07 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.831 0.824 . . . . 0.0 108.968 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.72 92.61 9.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.44 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.73 -54.86 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.817 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.76 -26.74 21.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.675 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -117.57 -23.2 7.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 110.894 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.96 85.24 0.05 OUTLIER Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.61 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.49 134.71 45.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.153 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -111.39 112.07 23.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.785 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' A' ' 21' ' ' LEU . 18.6 mt -111.13 74.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -108.17 105.0 14.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.295 0.569 . . . . 0.0 111.548 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.1 94.49 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.419 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -99.09 88.3 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.021 0.439 . . . . 0.0 110.586 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.56 87.65 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.04 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.36 69.42 9.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mt -79.59 -77.4 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.317 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.67 -124.69 3.54 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.373 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -86.78 21.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.593 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.584 ' HB2' ' H ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -77.56 -27.74 51.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.174 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 58.32 77.9 0.27 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.98 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.2 tp -78.2 149.84 33.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.081 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -81.34 76.04 8.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -24.49 57.67 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.134 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.87 -28.89 70.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.096 0.474 . . . . 0.0 110.101 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -67.87 -37.88 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.475 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.727 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.3 mt-10 -83.87 -37.57 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -59.75 -41.71 91.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.383 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -61.78 -27.65 68.9 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.4 pp -92.29 -26.62 18.04 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.638 -0.425 . . . . 0.0 109.964 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -76.11 -21.89 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.233 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.36 -30.49 29.02 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.079 0.552 . . . . 0.0 112.128 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.2 -31.15 4.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.016 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -57.81 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 m -69.84 -11.5 60.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.379 . . . . 0.0 111.405 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -151.54 47.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 4.2 pttm -69.35 86.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.819 0.819 . . . . 0.0 112.199 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.93 -32.45 23.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.252 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.588 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -83.25 170.39 14.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.374 -178.773 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -80.58 70.41 7.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.516 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -97.7 120.8 47.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.19 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -147.79 122.18 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 m -114.91 140.96 48.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -146.76 137.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.542 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -132.21 -171.38 2.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.724 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.556 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -140.47 131.99 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -136.01 130.06 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.1 mt -130.13 97.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 110.091 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.81 80.97 2.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.42 25.61 11.03 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.216 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.83 127.51 53.47 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.721 -0.282 . . . . 0.0 110.869 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm 60.21 41.03 17.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.472 0.482 . . . . 0.0 111.528 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.79 -165.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.21 -88.43 0.2 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.7 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.667 ' HB3' HG23 ' A' ' 55' ' ' ILE . 48.0 tp -174.06 89.52 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.8 0.333 . . . . 0.0 110.309 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -100.12 103.93 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD12 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -126.25 152.57 45.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.985 0.422 . . . . 0.0 110.963 -179.569 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -148.8 133.27 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.138 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.6 tp -127.6 148.77 50.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.18 75.91 1.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.158 0.286 . . . . 0.0 110.575 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 35.9 t0 -156.35 159.59 38.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.533 0.206 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.36 152.15 41.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.989 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.0 m 65.26 20.06 11.82 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.953 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.9 m -120.54 177.43 5.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.867 0.365 . . . . 0.0 110.524 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -101.48 115.81 31.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.577 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -109.62 24.85 12.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -177.129 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HG3' HD22 ' A' ' 34' ' ' LEU . 4.2 pt-20 -60.98 -22.17 64.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.527 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 33' ' ' GLU . 3.5 mm? -67.02 -35.43 79.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.162 0.506 . . . . 0.0 109.724 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD11 HD12 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -77.05 -46.53 23.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.71 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -57.68 -40.08 78.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.363 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.43 91.06 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.323 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.8 mm? -70.61 -29.96 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.333 . . . . 0.0 110.347 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -49.85 76.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -74.33 -36.33 63.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.385 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -65.06 -51.94 58.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.52 -37.45 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 p -61.28 -40.31 93.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.38 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.2 mt -79.11 -29.86 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.89 -59.5 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.453 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.91 116.82 7.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -136.81 23.37 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.466 0.65 . . . . 0.0 109.585 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.18 112.18 23.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.696 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -127.63 145.96 50.71 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.99 -28.77 36.4 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.279 -0.486 . . . . 0.0 111.912 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -77.92 -56.82 4.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.336 0.589 . . . . 0.0 109.977 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.68 93.51 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 103.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.411 0.624 . . . . 0.0 111.81 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -91.77 104.0 16.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.419 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.667 HG23 ' HB3' ' A' ' 21' ' ' LEU . 24.1 mt -103.2 86.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.308 0.575 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -105.99 105.25 15.2 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.043 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 23' ' ' LEU . 15.5 t -102.58 86.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.449 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -109.3 100.54 9.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.162 0.506 . . . . 0.0 110.446 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.48 93.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 3.9 mtpm? -81.46 89.96 6.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 23.6 mt -92.2 -84.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.85 -78.53 0.33 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -123.5 9.81 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.577 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -68.8 -28.84 67.12 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.912 -179.448 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 t80 60.21 88.33 0.08 Allowed 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.788 0.68 . . . . 0.0 110.907 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 tp -73.45 144.98 46.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -82.06 85.71 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -54.72 -36.49 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -58.74 -27.67 65.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 20.8 mt-30 -78.58 -48.89 14.27 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.562 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 21.1 mm-40 -65.73 -30.75 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.28 -46.7 79.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.184 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 17.6 pt20 -62.43 -31.75 72.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -90.37 -34.1 15.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.444 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.9 m -65.45 -31.2 72.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.756 0.312 . . . . 0.0 110.389 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.49 -20.98 59.39 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.075 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.73 -37.69 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.079 0.466 . . . . 0.0 110.695 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.69 -25.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.001 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.58 62.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.512 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -16.5 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.655 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -147.71 43.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 110.29 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -77.76 46.67 0.57 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.407 0.622 . . . . 0.0 111.981 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.659 0.742 . . . . 0.0 109.21 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.662 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -69.03 174.27 4.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.289 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.19 70.73 10.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 8.4 p -98.82 132.91 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.918 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -147.53 98.98 3.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.807 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -102.24 134.74 45.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tt -160.52 124.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.228 0.537 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -114.41 176.88 4.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.765 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 60' ' ' LYS . 6.8 m . . . . . 0 C--N 1.321 -0.666 0 CA-C-O 120.792 0.329 . . . . 0.0 110.561 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.234 0.261 0 CA-C-O 120.562 0.22 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.74 129.27 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -151.27 139.92 20.7 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.576 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.45 121.57 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.94 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.153 0.501 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.01 48.33 0.59 Allowed Glycine 0 CA--C 1.507 -0.451 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 p -104.17 -70.97 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.68 28.03 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.972 0.415 . . . . 0.0 111.347 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -153.82 -152.4 0.41 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.44 -96.94 0.9 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.266 -0.969 . . . . 0.0 111.754 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.634 ' HB3' HG23 ' A' ' 55' ' ' ILE . 23.1 tp -152.64 98.63 2.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.074 0.464 . . . . 0.0 110.192 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -118.43 112.94 20.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.956 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -138.36 150.37 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 -178.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -141.52 108.62 5.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.112 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -107.12 128.67 54.6 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.45 106.56 9.28 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.944 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -163.23 -160.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -153.94 131.65 11.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.377 -0.202 . . . . 0.0 110.776 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 m 65.73 15.7 10.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.646 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -97.61 143.78 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.766 0.317 . . . . 0.0 110.235 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.67 149.6 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.507 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 5.9 m-20 -77.81 24.41 0.22 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.622 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.11 -36.91 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.7 mt -96.72 9.94 40.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.966 0.412 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.586 HD12 HD23 ' A' ' 25' ' ' LEU . 3.8 tt -113.68 -55.48 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 31.2 t0 -58.75 -35.87 73.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.546 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.13 -38.11 60.41 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.781 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.58 -35.88 13.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.338 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 36' ' ' ASP . 5.0 tt0 -55.79 -56.6 18.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.65 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 24.2 t-20 -61.92 -46.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.3 ttm -57.35 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.424 -178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.88 -37.15 86.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.9 m -60.63 -27.97 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.998 0.428 . . . . 0.0 111.577 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 40' ' ' ASN . 3.6 mt -109.66 22.54 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.627 0.727 . . . . 0.0 109.819 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -124.03 -61.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.171 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.39 108.38 4.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.93 25.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.257 0.551 . . . . 0.0 110.183 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.46 88.63 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -47.62 11.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.03 -30.9 6.81 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.013 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.582 ' HE3' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -93.38 -37.98 11.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.889 0.344 . . . . 0.0 110.532 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.44 74.28 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.918 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -69.69 123.19 20.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.39 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -106.32 127.23 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 21' ' ' LEU . 60.7 mt -117.06 91.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 m -125.51 117.13 22.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.032 0.444 . . . . 0.0 111.137 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -100.82 101.99 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.351 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.11 86.17 3.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.299 0.571 . . . . 0.0 109.747 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.49 93.52 3.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.993 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -98.0 61.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.516 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' ALA . 96.6 mt -99.95 -2.08 35.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.327 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.9 -123.97 31.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.041 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.78 59.5 3.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.451 0.643 . . . . 0.0 110.777 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HD2' ' OD1' ' A' ' 32' ' ' ASP . 14.9 ptt180 -63.53 -20.42 65.6 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.344 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 57.39 41.26 26.62 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.736 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' OD1' ' A' ' 32' ' ' ASP . 2.2 tp -102.72 152.4 21.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.27 98.26 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.214 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -35.85 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.88 -28.34 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.236 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -65.16 -41.61 94.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.198 0.523 . . . . 0.0 109.797 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 23.3 mt-10 -69.63 -37.22 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.602 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -62.32 -48.48 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.685 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -59.94 -29.89 68.7 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.6 pp -87.43 -33.06 19.2 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -68.81 -32.28 71.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 36.8 mm-40 -58.23 -23.42 55.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.0 -33.86 76.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.316 0.579 . . . . 0.0 110.009 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.24 -16.7 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.313 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -63.69 -18.46 64.02 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.867 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -74.12 -27.14 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.189 0.518 . . . . 0.0 110.042 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -121.03 40.84 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.162 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 16.0 pttm -77.75 53.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.652 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -82.26 -22.66 35.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 109.563 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.04 170.09 16.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.206 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.08 80.64 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 110.927 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -100.42 124.9 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.553 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -147.75 104.82 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.35 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m -117.18 127.75 54.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.298 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 tt -148.25 124.8 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.288 0.566 . . . . 0.0 110.706 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.47 160.84 16.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.186 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 p -137.29 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.936 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -150.69 144.75 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.212 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.2 mt -136.33 99.58 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.123 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.4 83.45 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.443 . . . . 0.0 110.383 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.498 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -127.32 88.34 0.34 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.615 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -162.29 -63.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 110.606 -179.548 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 17' ' ' THR . 31.9 mmtm -121.84 52.99 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -172.07 -166.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.822 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -89.81 0.64 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.047 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB3' HG23 ' A' ' 55' ' ' ILE . 14.8 tp -160.1 89.07 0.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.506 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.46 96.63 6.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -119.13 146.98 44.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -142.58 125.94 16.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.264 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -125.96 121.92 34.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.47 69.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -139.18 133.82 31.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.086 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.69 159.1 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.59 0.233 . . . . 0.0 111.277 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m 56.42 49.53 14.8 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.912 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -162.39 -171.72 2.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -130.56 166.79 19.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -173.53 96.95 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.79 6.56 38.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.84 -38.32 12.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.93 -53.78 54.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.621 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.69 -32.77 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.944 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.54 -49.2 75.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.593 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.0 -41.89 81.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.199 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.86 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.298 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -68.01 -39.94 83.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.407 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.7 mmm -65.94 -48.93 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.894 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.498 HD13 ' HA3' ' A' ' 16' ' ' GLY . 53.4 mt -57.39 -42.83 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -61.17 -36.36 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 111.075 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -80.71 -28.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.001 0.429 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.33 -71.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.42 101.25 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.88 -5.16 38.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 109.696 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.56 103.98 16.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.811 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -107.6 -172.5 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.886 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.2 27.23 7.83 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.242 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -55.34 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.394 . . . . 0.0 110.753 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.08 91.54 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 4.1 pm0 -54.52 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.755 0.788 . . . . 0.0 112.743 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -91.04 91.57 8.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.163 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.578 HG23 ' HB3' ' A' ' 21' ' ' LEU . 32.3 mt -91.93 64.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -108.91 96.86 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.532 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.1 96.99 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -110.22 96.63 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.571 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.59 149.48 13.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.264 0.554 . . . . 0.0 111.068 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' OG ' ' A' ' 91' ' ' SER . 3.8 ttmt -120.43 68.63 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 64' ' ' ARG . 19.5 mt -85.07 -29.32 25.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.205 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.581 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 68.21 -101.31 0.73 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.905 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -109.18 17.61 21.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.106 0.479 . . . . 0.0 110.264 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.7 ttt180 -60.19 -33.75 72.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.441 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.2 t80 61.73 85.23 0.12 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.482 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.72 158.69 15.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.314 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -75.68 75.16 2.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.177 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -54.25 -30.3 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.016 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.08 -41.07 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.8 mm100 -68.73 -44.14 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 mt-10 -65.61 -41.56 92.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.12 -46.34 84.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.534 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.1 pt20 -64.3 -32.2 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.5 pp -83.83 -31.2 25.95 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.93 -0.481 . . . . 0.0 110.756 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -67.72 -30.97 70.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.48 -30.14 39.54 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.27 -36.91 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.23 -18.36 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -62.29 -34.66 77.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.399 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -68.91 -17.32 63.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.283 0.563 . . . . 0.0 111.21 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -134.14 41.2 2.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.579 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -75.58 55.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.481 -179.159 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.43 -16.97 37.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.456 HD22 ' H ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -79.62 172.26 14.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.43 179.551 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -83.87 74.12 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -97.56 137.41 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -159.19 88.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.607 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.71 130.92 39.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -157.81 149.19 9.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 111.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -130.19 152.69 49.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.581 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 2.1 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.047 0.451 . . . . 0.0 109.96 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.709 0.29 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.08 142.12 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 t -155.46 142.62 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -132.97 135.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.069 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -129.79 93.05 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.316 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.583 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -138.04 72.94 0.43 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.796 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -142.98 -70.27 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.866 0.365 . . . . 0.0 110.194 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.52 ' H ' HG23 ' A' ' 17' ' ' THR . 13.6 ttpp -101.99 27.88 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 109.128 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.84 -171.74 4.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.802 -178.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -104.76 0.18 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.566 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.677 ' HB3' HG23 ' A' ' 55' ' ' ILE . 45.8 tp -144.87 86.67 1.8 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.202 0.525 . . . . 0.0 110.5 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.402 HG23 ' OG ' ' A' ' 56' ' ' SER . 7.2 m -105.65 111.72 24.51 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.084 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.32 142.44 50.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.064 0.459 . . . . 0.0 110.637 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -131.13 121.17 24.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.781 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD13 ' H ' ' A' ' 27' ' ' ASP . 1.7 tm? -129.25 120.76 26.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.15 38.47 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 110.617 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.582 ' H ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.2 123.58 47.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.406 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.11 133.31 45.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.934 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.6 m 56.74 42.3 26.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.683 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -125.32 179.35 5.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.711 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -80.14 107.26 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.442 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -86.78 -2.22 58.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.667 -179.223 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.0 -39.89 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.829 0.347 . . . . 0.0 111.255 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.66 -18.37 65.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.267 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tp -92.56 -52.15 4.78 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.184 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -40.19 78.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.598 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.18 -55.27 25.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.505 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.62 -37.6 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.638 0.256 . . . . 0.0 110.493 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.24 -55.44 31.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.809 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.1 -42.1 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.089 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.3 tpp -59.09 -57.08 14.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.205 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.583 HD13 ' HA3' ' A' ' 16' ' ' GLY . 63.0 mt -65.25 -28.44 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -64.95 -14.51 60.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.714 0.292 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -118.21 -35.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 110.281 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.14 -52.13 60.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.637 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.4 106.7 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.563 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -138.26 24.75 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.279 0.561 . . . . 0.0 110.398 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -132.78 93.6 3.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -88.61 -40.35 13.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.25 61.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.112 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.73 26.6 15.71 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.666 0.387 . . . . 0.0 111.981 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.31 30.8 1.44 Allowed Glycine 0 CA--C 1.507 -0.456 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.351 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.18 17.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.926 0.393 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -98.69 113.31 25.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' A' ' 21' ' ' LEU . 45.0 mt -107.84 75.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.508 0.671 . . . . 0.0 109.352 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.402 ' OG ' HG23 ' A' ' 22' ' ' THR . 11.2 p -98.21 104.56 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.043 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.65 94.27 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.716 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -96.62 78.71 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.499 . . . . 0.0 110.252 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -93.62 91.3 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.984 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -95.57 62.26 2.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 32' ' ' ASP . 17.1 mt -75.04 -9.59 58.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.092 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.458 ' H ' ' HB2' ' A' ' 91' ' ' SER . . . 63.96 -135.9 40.67 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.472 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -86.65 34.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -31.47 72.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 t80 62.42 84.81 0.13 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.89 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.6 tp -115.3 158.92 21.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.431 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -74.01 81.53 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.0 110.282 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -54.37 -41.58 69.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.934 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.46 -42.81 88.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.596 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 16.7 mt-30 -68.81 -33.39 73.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.583 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.39 -29.75 42.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.54 0.686 . . . . 0.0 109.782 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 19.6 tt0 -75.09 -40.92 59.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.056 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.9 pt20 -56.39 -39.08 72.38 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.98 -31.22 62.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.282 0.563 . . . . 0.0 109.508 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.5 m -71.32 -28.8 64.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 49.4 mt-10 -55.97 -26.55 48.71 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.39 -42.56 91.99 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -91.17 -30.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.002 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -62.76 -32.48 73.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.4 m -66.4 -14.57 62.34 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.32 45.57 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -72.56 58.46 0.42 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.506 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -82.04 -10.8 59.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.381 0.61 . . . . 0.0 110.178 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.31 171.19 9.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.546 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -80.99 75.64 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.407 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.34 130.76 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -143.8 101.59 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -98.27 130.17 44.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 tt -141.13 118.74 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.227 0.537 . . . . 0.0 110.828 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.419 ' HA ' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -101.52 175.95 5.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.968 179.541 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.458 ' HB2' ' H ' ' A' ' 62' ' ' GLY . 74.8 m . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 120.593 0.235 . . . . 0.0 111.159 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.526 0.203 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.83 139.52 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.914 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 24' ' ' HIS . 1.7 t -157.85 127.48 5.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.386 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mt -127.41 142.21 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.722 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -148.75 161.13 42.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.568 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.75 -37.02 0.18 Allowed Glycine 0 C--O 1.223 -0.538 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.119 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -53.52 -18.64 2.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.62 32.35 5.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.116 -0.365 . . . . 0.0 111.223 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.444 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 8.4 t-20 -177.72 -141.85 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.157 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.01 -74.55 1.12 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' ILE . 18.5 tp -157.74 109.99 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.842 0.353 . . . . 0.0 110.096 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.68 100.76 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.54 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 23' ' ' LEU . 1.9 pt? -129.14 137.84 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 111.27 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.466 ' HB3' HG23 ' A' ' 13' ' ' THR . 11.6 t60 -138.95 124.98 19.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.567 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -131.89 128.13 37.93 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.654 0.264 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -116.64 105.38 12.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.123 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.8 t70 -165.8 -168.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.65 137.32 7.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.62 0.248 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.6 m 66.04 11.18 7.58 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.173 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -103.51 157.15 17.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.871 0.367 . . . . 0.0 110.751 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -81.93 139.29 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.7 p30 -99.1 19.56 15.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.473 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 34' ' ' LEU . 6.3 pt-20 -59.29 -38.58 80.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 110.862 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 tp -68.5 -22.81 64.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.38 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 tp -85.06 -41.67 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.16 -38.24 82.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.544 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.34 49.96 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.03 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.4 mm? -76.3 -40.96 50.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.499 ' HG3' HD21 ' A' ' 21' ' ' LEU . 22.5 tt0 -55.65 -48.95 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.42 HD21 HD22 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -67.5 -48.41 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.159 -179.537 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.0 ttt -59.72 -55.66 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.47 -44.95 89.51 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.2 m -59.01 -29.61 67.38 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mt -96.91 -26.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.069 0.461 . . . . 0.0 111.034 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.37 -59.31 2.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.911 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -149.91 91.43 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.981 0.419 . . . . 0.0 111.359 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -101.38 -7.21 23.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.383 0.611 . . . . 0.0 110.015 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.85 126.2 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.138 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' OD1' ' HA ' ' A' ' 19' ' ' ASN . 16.2 t70 -104.6 -54.1 2.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.03 0.443 . . . . 0.0 110.012 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.3 -28.61 11.45 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.422 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -47.88 3.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.79 79.88 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.385 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -66.94 120.11 13.05 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.327 0.584 . . . . 0.0 111.292 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -110.96 132.9 53.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.969 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 21' ' ' LEU . 39.8 mt -112.77 76.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -96.64 109.09 21.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.535 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' A' ' 88' ' ' SER . 12.7 t -101.65 97.14 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -109.39 100.79 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.335 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.52 118.59 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.931 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -105.02 34.07 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 110.52 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 90.8 mt -70.76 -27.98 64.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.473 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.616 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 76.33 -83.29 0.99 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.132 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -106.8 52.23 0.72 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.0 111.336 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 13.7 ptt180 -68.46 -26.84 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.3 t80 55.73 39.3 30.8 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.627 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.6 tp -87.02 142.7 27.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.05 106.07 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -21.15 63.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.405 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.74 -35.18 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 4.3 mm100 -66.97 -41.06 87.49 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 13.1 mm-40 -74.58 -38.7 62.58 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -52.66 64.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.225 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.6 pp0? -56.39 -32.39 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.8 pp -88.26 -31.5 18.99 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -69.14 -29.05 67.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.797 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 72' ' ' GLU . 95.5 mt-10 -51.03 -34.24 28.66 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.807 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.4 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.27 -30.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.999 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.13 71.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.741 0.305 . . . . 0.0 111.666 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 m -70.42 -5.46 28.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -154.23 46.9 0.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -79.33 61.23 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.49 0.662 . . . . 0.0 112.129 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.324 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -74.98 160.49 30.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.794 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.31 78.93 4.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.483 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.99 143.6 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.161 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -159.46 97.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.432 ' HA ' ' HB ' ' A' ' 57' ' ' VAL . 1.4 m -105.29 125.47 51.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.253 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.9 tt -154.91 132.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.433 0.635 . . . . 0.0 111.754 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.99 143.9 51.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.616 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.6 m . . . . . 0 C--N 1.323 -0.58 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.0 p90 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -149.41 151.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.417 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -149.76 140.11 22.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -132.84 110.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.334 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -106.94 94.11 4.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -136.65 70.04 0.5 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -144.82 122.39 11.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.712 0.292 . . . . 0.0 110.952 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 56.63 29.0 14.9 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.444 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 49' ' ' ASP . 4.6 t-20 -159.6 -148.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -90.68 -115.22 1.77 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.961 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HB3' HG23 ' A' ' 55' ' ' ILE . 49.9 tp -153.57 96.83 2.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.207 0.527 . . . . 0.0 110.297 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -112.95 99.64 8.03 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.541 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.6 pt? -130.68 154.39 47.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.56 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -154.35 128.69 9.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.275 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 tp -114.93 140.18 49.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.706 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.67 83.55 2.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.171 0.51 . . . . 0.0 109.662 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.74 126.39 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.385 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.62 150.43 23.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.524 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.8 m 73.26 -2.85 2.61 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.432 0.693 . . . . 0.0 112.79 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -110.05 150.39 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.214 -0.304 . . . . 0.0 110.472 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -88.11 136.41 32.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.693 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 11.7 p-10 -89.56 51.93 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.387 0.613 . . . . 0.0 111.189 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.29 -24.12 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.586 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.16 -1.77 56.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.105 0.478 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 7.2 tp -101.91 -48.98 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.168 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -36.7 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 41' ' ' MET . . . -61.59 -48.31 85.34 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.186 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.9 -40.82 83.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.0 110.296 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -51.58 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.567 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.73 -40.35 66.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.481 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 2.6 tmm? -59.78 -51.96 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.269 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 16' ' ' GLY . 90.2 mt -66.58 -37.62 85.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -68.17 -14.14 62.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.934 0.397 . . . . 0.0 111.886 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -105.94 -34.51 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.017 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.69 -69.47 0.46 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.53 116.43 5.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.056 0.455 . . . . 0.0 111.063 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.79 8.8 4.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.288 0.566 . . . . 0.0 109.722 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.497 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 3.2 m -100.21 89.96 4.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' HA ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -72.87 -43.64 62.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.135 179.543 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.41 -8.14 32.56 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.806 -0.712 . . . . 0.0 114.088 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 2.9 mppt? -135.68 25.68 3.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.157 0.978 . . . . 0.0 112.041 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.76 83.9 1.75 Allowed Glycine 0 C--N 1.315 -0.597 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' NE2' ' HA ' ' A' ' 48' ' ' THR . 1.5 pm0 -77.55 139.22 39.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.045 0.45 . . . . 0.0 111.24 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 85.9 tttt -104.89 107.54 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.677 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.659 HG23 ' HB3' ' A' ' 21' ' ' LEU . 10.0 mt -107.13 64.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.29 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -95.62 100.36 12.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.156 0.503 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 88' ' ' SER . 49.1 t -88.4 97.57 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.389 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 64.3 m170 -99.82 92.22 5.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -95.79 80.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.467 0.651 . . . . 0.0 110.587 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -85.36 69.69 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.121 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.2 -79.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.1 0.476 . . . . 0.0 110.312 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.77 -105.2 0.34 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.113 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -100.72 25.58 7.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.845 0.355 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -72.08 -33.15 67.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 57.22 62.42 2.2 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.809 0.693 . . . . 0.0 110.2 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.54 156.19 37.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.014 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -72.93 86.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.098 0.475 . . . . 0.0 110.453 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -45.57 71.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.798 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -54.23 -37.09 64.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.671 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.598 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 36.2 mt-30 -66.43 -45.62 79.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.855 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.0 mm-40 -73.27 -33.32 65.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.181 0.515 . . . . 0.0 109.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -65.28 -48.69 72.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.3 pp0? -58.16 -32.78 68.52 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.6 pp -82.64 -32.72 28.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.317 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -73.65 -27.75 61.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.289 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -49.18 -36.97 21.07 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.978 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.75 -52.18 66.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.116 0.484 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mp -75.88 -30.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.964 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.71 -24.27 65.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.98 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.7 m -65.81 -30.31 70.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 0.0 110.754 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -137.26 48.52 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -72.21 78.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.68 -3.98 57.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.852 0.834 . . . . 0.0 109.336 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.19 172.07 8.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.034 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 77.6 m-85 -85.99 67.64 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -99.62 124.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.289 0.566 . . . . 0.0 111.552 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -155.26 126.1 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.269 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 11.0 m -117.58 140.78 49.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.663 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.1 tt -147.5 135.86 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -111.66 -171.85 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.326 -0.433 0 O-C-N 122.089 -0.382 . . . . 0.0 111.616 -179.281 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 120.505 0.193 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.83 137.07 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.003 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 t -155.49 141.82 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mt -136.57 121.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.1 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.02 100.35 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.45 29.61 4.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.211 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 t -121.57 139.53 53.39 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mttt 56.28 34.41 23.99 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -175.13 -139.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.229 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.558 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -104.11 -101.21 2.65 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.934 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 39' ' ' GLN . 61.8 tp -160.08 97.41 1.26 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.082 0.467 . . . . 0.0 110.694 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -111.48 114.84 28.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.682 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -133.87 149.6 51.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.401 -179.697 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 12.5 t-160 -158.6 126.52 5.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.563 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.8 tp -126.95 131.99 50.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -112.45 81.18 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.89 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -151.19 123.7 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.15 142.61 27.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.3 m 56.27 66.82 1.1 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.728 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 172.68 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -112.01 100.8 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.4 0.619 . . . . 0.0 109.468 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.29 45.05 0.82 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.503 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -58.21 -36.42 73.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.361 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.94 -33.46 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' HG ' HD12 ' A' ' 23' ' ' LEU . 11.0 tp -70.68 -47.92 57.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.97 -40.03 96.48 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.44 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.87 -48.1 87.74 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.783 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.28 -36.86 85.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.046 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -57.76 -48.04 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.237 179.119 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -67.98 -45.67 73.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ttt -57.46 -55.51 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.97 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.69 -37.92 85.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 t -60.95 -35.61 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.079 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.56 -35.62 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.1 -68.02 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.174 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.57 129.47 6.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 0.0 111.606 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -132.83 12.15 4.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.611 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.44 88.33 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.662 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.4 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -36.2 2.27 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.79 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 28.74 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.224 0.535 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.83 114.81 3.77 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.879 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.558 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 1.6 pm0 -104.1 147.19 27.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.233 0.54 . . . . 0.0 111.322 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -103.7 104.62 14.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.115 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 18.3 mt -102.32 67.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.798 0.809 . . . . 0.0 108.902 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 m -98.28 99.83 11.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.665 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 88' ' ' SER . 18.8 t -86.84 91.07 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.547 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 13.4 m-70 -97.03 81.83 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.873 0.368 . . . . 0.0 111.338 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.12 73.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.662 0.744 . . . . 0.0 109.964 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.452 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.8 mtpt -79.73 59.44 3.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.561 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.2 mp -80.38 -78.09 0.18 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 119.73 95.86 1.6 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.245 -0.979 . . . . 0.0 112.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 61.96 47.03 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.448 0.642 . . . . 0.0 110.357 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' NH1' HD22 ' A' ' 66' ' ' LEU . 20.9 ptt180 -83.34 -32.64 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.0 t80 52.95 61.95 2.93 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.685 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD22 ' NH1' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -89.31 -169.28 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.166 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.62 80.95 8.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.272 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -59.47 -32.22 70.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -58.87 -43.7 90.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.411 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 61.1 mt-30 -66.58 -41.09 89.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 35.1 mt-10 -63.4 -49.94 71.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.642 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.2 -44.74 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp0? -59.87 -38.7 82.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -33.86 58.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.926 0.393 . . . . 0.0 110.128 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -68.49 -32.52 72.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.787 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.94 -34.16 69.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.485 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.33 -29.28 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 110.947 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.5 mt -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.27 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -12.38 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.365 0.602 . . . . 0.0 110.422 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -149.12 45.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.951 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.65 59.52 0.46 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.348 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.15 -11.96 51.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.67 0.747 . . . . 0.0 109.397 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -84.0 170.05 14.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.156 179.707 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -89.49 72.72 7.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.345 0.593 . . . . 0.0 110.259 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.7 p -98.79 136.12 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.624 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.23 109.95 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -101.27 150.12 23.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 179.529 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.0 tt -150.71 129.81 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.82 171.83 7.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.42 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.497 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 50.8 m . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 121.322 0.582 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.08 135.6 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.83 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -148.29 135.52 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.74 133.22 69.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -135.85 106.58 6.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.118 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.665 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -146.09 67.84 0.4 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.374 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -148.55 125.23 11.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 58.55 33.51 23.16 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.25 -159.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.851 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -97.99 0.92 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.919 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.823 ' HB3' HG23 ' A' ' 55' ' ' ILE . 43.8 tp -164.37 104.57 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.359 . . . . 0.0 110.124 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -122.4 115.1 21.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.097 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.437 HD21 ' HG2' ' A' ' 39' ' ' GLN . 2.8 pp -149.81 166.26 30.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.914 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.561 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 16.5 p80 -162.61 137.77 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.457 178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -124.64 120.97 33.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.93 83.73 1.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.776 0.322 . . . . 0.0 110.732 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -163.28 124.77 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.532 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.76 157.82 17.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.88 0.372 . . . . 0.0 111.803 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.0 m 58.5 56.4 4.34 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.982 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.74 167.78 26.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.13 111.75 23.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.048 0.451 . . . . 0.0 110.041 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.45 45.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.534 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -63.33 -44.68 94.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.67 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.44 -35.24 79.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.392 . . . . 0.0 110.461 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 19.9 tp -63.41 -47.88 80.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.761 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -39.56 81.83 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.708 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.26 97.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.773 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.29 -42.88 92.67 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 89.7 mt-30 -54.12 -50.57 66.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.628 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -64.47 -54.05 38.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.668 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 ttm -55.29 -50.02 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.665 HD13 ' HA3' ' A' ' 16' ' ' GLY . 95.1 mt -61.88 -41.61 98.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 m -62.94 -37.69 88.06 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.514 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.48 -21.76 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.322 0.582 . . . . 0.0 110.45 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.98 -51.73 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.78 155.76 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -153.61 -31.64 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.08 90.59 7.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.674 0.273 . . . . 0.0 110.506 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -66.93 -52.37 43.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.86 -11.24 7.85 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.557 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -151.73 28.82 0.61 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.157 0.979 . . . . 0.0 112.255 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.7 92.96 2.14 Favored Glycine 0 C--N 1.319 -0.361 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.213 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -80.8 137.4 36.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.414 0.626 . . . . 0.0 111.8 -179.068 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 81.1 tttt -108.52 112.55 24.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.547 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.823 HG23 ' HB3' ' A' ' 21' ' ' LEU . 17.7 mt -107.93 63.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.714 0.768 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -89.02 92.47 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 88' ' ' SER . 47.1 t -86.39 93.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.635 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 40.1 m170 -107.87 112.6 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.577 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -108.39 117.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.823 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.1 mtpt -112.26 48.11 1.01 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mp -76.38 -77.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.38 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 107.47 122.25 4.81 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.301 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 p30 44.22 39.73 3.15 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 112.18 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -24.87 62.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 110.201 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 57.17 31.81 20.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.364 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.9 155.06 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.828 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 80.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.067 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -50.48 -26.26 4.93 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.986 0.914 . . . . 0.0 112.904 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.63 -20.94 66.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 27.1 tt0 -65.97 -48.9 69.73 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 0.0 111.748 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 mp0 -71.23 -31.16 67.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -46.42 77.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.061 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp0? -59.31 -26.24 64.83 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.3 pp -91.88 -34.26 14.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.536 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.3 m -71.09 -29.8 65.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.17 -24.24 66.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 77' ' ' LEU . 3.2 mm? -72.41 -21.6 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 0.0 110.191 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.0 -20.4 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.59 -22.26 66.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.635 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.68 62.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 110.194 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 46.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.122 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -70.67 68.08 0.39 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.547 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -94.68 -10.67 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.688 0.756 . . . . 0.0 109.385 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -80.05 161.27 25.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.196 -179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.458 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 35.5 m-85 -82.75 62.61 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.2 p -90.01 140.3 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.007 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 106.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.606 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.629 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -98.98 150.22 22.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 tt -163.73 142.13 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 50.1 t0 -130.89 167.71 18.52 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.6 m . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 120.94 0.4 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 p90 . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.84 144.06 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.656 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -157.05 130.12 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.9 mt -117.03 125.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -121.25 102.93 8.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.945 0.402 . . . . 0.0 110.452 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.76 48.36 0.97 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.05 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -127.95 132.82 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.48 43.48 30.27 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.233 0.54 . . . . 0.0 110.366 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.27 -146.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.867 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.12 -90.88 2.2 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.825 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.62 ' HB3' HG23 ' A' ' 55' ' ' ILE . 57.8 tp -161.52 100.07 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.949 0.404 . . . . 0.0 110.62 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 114.2 23.22 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.882 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 57' ' ' VAL . 3.6 pp -142.6 165.72 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.671 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 47.0 p-80 -161.19 142.96 11.91 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.156 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.2 143.88 48.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.74 91.79 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.283 0.364 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -171.56 118.08 0.43 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.334 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.9 151.64 23.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.2 m 59.08 48.55 10.5 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.109 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -138.47 147.26 43.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.288 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -91.86 99.36 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.166 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.29 39.03 0.44 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.9 -23.08 64.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.04 -24.85 62.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.746 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.16 -30.42 67.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.99 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -61.83 -35.95 79.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.984 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.83 -53.15 41.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.472 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.58 -42.73 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.22 -48.83 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -66.66 -51.11 59.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.221 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.48 -44.87 89.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.188 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 53.3 mt -63.94 -35.34 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -34.16 76.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.156 0.503 . . . . 0.0 110.394 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -84.77 -34.09 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.02 -67.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.228 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 136.73 16.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.002 0.43 . . . . 0.0 111.522 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -128.38 -13.65 4.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.22 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -96.86 87.02 4.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.448 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -49.92 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 110.303 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.96 -55.58 0.52 Allowed Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.345 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -140.58 25.6 2.18 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.66 109.86 0.6 Allowed Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.746 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -112.63 135.71 53.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 37.8 ttmt -113.92 117.13 30.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.264 0.554 . . . . 0.0 111.183 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 21' ' ' LEU . 2.7 mp -111.7 65.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.953 0.882 . . . . 0.0 109.485 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.1 m -93.39 84.89 4.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.818 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 88' ' ' SER . 48.0 t -80.38 98.11 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.869 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.671 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 38.5 m-70 -105.67 103.6 13.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.204 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.713 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -103.68 100.74 11.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.136 0.493 . . . . 0.0 110.078 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -96.4 60.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.376 0.608 . . . . 0.0 110.676 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mp -91.1 -68.79 0.77 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 91' ' ' SER . . . 100.27 116.2 3.9 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 p30 45.26 45.55 9.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.723 0.773 . . . . 0.0 111.169 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -17.7 64.35 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.9 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 66.67 14.4 9.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.833 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.8 tp -78.21 149.03 33.75 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.5 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 10.8 m-85 -66.51 107.48 2.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.477 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -60.22 -41.29 92.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.58 -23.79 66.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.137 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 1.2 tt0 -64.49 -39.06 93.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.042 0.449 . . . . 0.0 109.794 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 2.2 mm-40 -71.53 -39.33 70.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.289 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HA ' HG22 ' A' ' 75' ' ' THR . 5.1 mm-40 -64.13 -48.38 76.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.524 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.4 pp0? -61.9 -29.9 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -84.19 -33.6 24.14 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.68 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 72' ' ' GLU . 5.2 t -79.64 -14.25 58.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.594 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.15 -35.81 76.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.99 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.0 mm? -62.89 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.063 0.458 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -100.52 -7.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.431 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.04 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.32 -5.14 45.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -154.88 39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.135 0.493 . . . . 0.0 110.546 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -79.22 65.91 4.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.272 0.558 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.43 19.59 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.059 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.02 179.03 4.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.716 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 73.6 m-85 -88.82 68.11 8.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.463 0.649 . . . . 0.0 109.669 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.0 p -97.05 139.1 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.252 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -161.72 109.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.386 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.641 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 22.3 t -115.05 146.86 40.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.176 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 tt -168.02 141.72 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 120.644 0.259 . . . . 0.0 110.859 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 15.8 t0 -124.35 168.86 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.412 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -76.06 126.19 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -148.22 120.73 8.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.002 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.0 tpp -71.36 133.03 45.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.589 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -109.57 146.44 34.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.169 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 -166.67 1.65 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.821 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -76.31 168.92 19.19 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.666 ' HB2' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -116.32 162.81 16.95 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.877 0.37 . . . . 0.0 110.727 -179.567 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -112.22 -52.75 2.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.77 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 10.9 mt-30 -131.13 103.54 6.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CD1' ' HB2' ' A' ' 8' ' ' LYS . 3.1 m-85 -125.19 165.08 18.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.044 0.45 . . . . 0.0 111.472 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -138.17 139.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.339 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -153.48 138.59 17.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.849 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 23' ' ' LEU . 46.6 mt -135.23 117.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.304 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 39.7 tttp -107.76 111.6 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.153 0.501 . . . . 0.0 111.277 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.04 67.23 0.31 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.73 -70.67 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.602 -0.299 . . . . 0.0 111.584 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' H ' HG23 ' A' ' 17' ' ' THR . 11.0 mtpt -117.77 17.2 14.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.622 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 2.5 m120 -128.42 -166.39 1.62 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.949 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.76 -97.54 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.148 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 55' ' ' ILE . 41.5 tp -161.96 99.95 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.79 106.04 13.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.022 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 14' ' ' ILE . 1.3 pt? -126.7 147.01 49.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.057 0.456 . . . . 0.0 110.969 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -140.52 113.94 8.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.248 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -108.34 128.71 54.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -122.3 78.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.708 0.29 . . . . 0.0 110.275 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -155.84 135.96 12.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.444 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 143.93 34.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.8 m 58.84 20.42 7.98 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.454 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -116.73 152.92 33.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -77.08 146.86 37.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.003 0.43 . . . . 0.0 111.055 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -116.9 30.76 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.6 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.753 ' HG3' HD22 ' A' ' 34' ' ' LEU . 12.1 pt-20 -61.29 -28.4 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.753 HD22 ' HG3' ' A' ' 33' ' ' GLU . 1.8 mm? -85.47 -3.8 58.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.1 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 5.9 tp -103.87 -50.84 3.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.5 70.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.73 -53.82 40.42 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.426 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD22 HD12 ' A' ' 14' ' ' ILE . 7.1 mp -66.4 -35.94 81.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.474 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -51.26 60.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.694 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.44 -42.26 62.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.13 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ttt -56.37 -48.5 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.936 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.53 -41.58 79.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 m -60.55 -37.87 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.4 mt -79.14 -35.83 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.013 0.435 . . . . 0.0 110.25 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -65.63 -67.56 0.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.538 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -165.61 119.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.669 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -117.75 18.89 14.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.92 0.867 . . . . 0.0 108.703 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.497 ' H ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -80.91 98.7 8.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.183 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.22 -52.08 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.86 -31.95 6.7 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -44.78 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.435 0.636 . . . . 0.0 110.266 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 86.53 0.07 OUTLIER Glycine 0 C--N 1.312 -0.784 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.256 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.43 113.13 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.26 0.552 . . . . 0.0 111.649 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -89.93 97.13 11.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.793 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 21' ' ' LEU . 6.8 mt -102.97 70.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.435 0.636 . . . . 0.0 109.604 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.8 m -106.58 102.21 11.61 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.77 94.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -102.05 92.4 4.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.159 0.505 . . . . 0.0 110.637 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -93.37 83.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.53 -179.567 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -83.13 68.73 9.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.41 0.624 . . . . 0.0 109.901 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.02 -68.7 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.803 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.84 -121.1 3.85 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -85.69 22.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.33 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.1 t80 56.02 73.87 0.41 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.342 0.592 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.4 tp -80.09 151.82 29.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -78.35 81.22 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.5 -27.59 68.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.858 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 11.5 mm100 -73.52 -36.89 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.997 0.427 . . . . 0.0 110.54 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.7 mm-40 -86.01 -31.75 21.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.383 0.611 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 40.9 tt0 -62.96 -41.07 99.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.191 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 10.3 pt20 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.452 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -79.57 -29.61 41.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.21 -31.86 72.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 6.1 mm-40 -54.08 -32.96 56.31 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.387 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.69 -34.85 79.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.148 0.499 . . . . 0.0 110.652 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -88.49 -27.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -60.84 -27.12 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.996 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -71.23 -13.08 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -143.12 39.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.36 0.6 . . . . 0.0 109.97 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 48.4 pttt -75.48 62.12 1.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.373 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.89 -11.94 37.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.759 0.79 . . . . 0.0 109.25 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -86.6 175.17 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.74 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -84.94 73.65 10.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.903 0.382 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.6 p -100.78 130.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.686 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -156.02 105.45 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -109.35 133.54 52.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.5 tt -157.77 135.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.455 . . . . 0.0 110.874 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.4 p-10 -110.51 -153.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.5 m -135.26 37.52 2.96 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.107 -0.371 . . . . 0.0 111.429 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.57 169.06 1.4 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.494 0.664 . . . . 0.0 112.293 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.87 117.25 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.074 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.6 tt -59.33 126.21 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.362 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 m -121.19 114.98 22.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -85.76 81.32 8.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.123 0.487 . . . . 0.0 109.835 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -136.29 145.42 45.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.494 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -82.39 81.17 8.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.165 0.507 . . . . 0.0 110.08 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.61 74.57 8.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.272 0.558 . . . . 0.0 109.636 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -71.45 122.39 20.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.651 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -85.77 81.55 8.54 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.334 0.587 . . . . 0.0 110.234 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tp -125.14 114.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.007 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -123.0 125.47 45.31 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.602 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -107.35 13.87 26.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 . . . . . 0 C--O 1.245 0.838 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.533 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.2 163.89 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.291 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -96.31 171.32 8.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.304 0.574 . . . . 0.0 111.215 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.3 mtt -103.42 -174.83 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.604 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -71.4 138.74 49.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.57 168.17 14.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.698 0.285 . . . . 0.0 111.223 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -61.68 152.73 30.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.097 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.1 147.3 38.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.698 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -80.25 -51.1 9.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 16.7 pt20 -106.27 146.62 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.532 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -167.73 -171.93 1.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.09 136.71 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.064 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -155.67 143.46 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.905 0.383 . . . . 0.0 110.272 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.79 117.06 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.88 105.8 15.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.966 0.412 . . . . 0.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.18 89.27 0.15 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -124.6 -82.69 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.996 0.427 . . . . 0.0 111.182 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -111.26 25.83 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.0 109.684 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -130.53 -165.05 1.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.575 -1.193 . . . . 0.0 108.543 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.56 -87.58 0.39 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.381 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HB3' HG23 ' A' ' 55' ' ' ILE . 37.9 tp -170.58 110.74 0.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.827 0.346 . . . . 0.0 110.617 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 90.36 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.78 144.84 34.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.02 0.438 . . . . 0.0 111.08 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -149.61 111.83 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.83 125.08 51.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -122.12 81.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.633 0.254 . . . . 0.0 111.335 -178.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 31.3 t0 -154.52 145.58 22.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -107.5 144.63 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.6 m 68.09 -2.7 1.42 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 66.7 m -87.36 158.65 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.607 0.242 . . . . 0.0 110.575 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -85.82 139.85 30.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.952 0.406 . . . . 0.0 110.487 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -100.05 24.06 9.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.757 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -57.33 -37.23 72.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.05 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.8 mm? -76.77 -36.67 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.109 0.481 . . . . 0.0 109.815 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.9 tp -66.04 -54.9 20.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.735 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.17 -40.71 86.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.353 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.52 -50.28 61.01 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.02 -35.66 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.66 0.267 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -55.06 39.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -63.73 -37.05 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.87 -52.57 59.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.73 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.18 -36.66 82.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -58.49 -25.2 62.1 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -113.34 8.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.416 0.627 . . . . 0.0 110.288 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.87 -55.74 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.21 106.67 4.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.314 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.8 31.88 2.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.633 0.73 . . . . 0.0 109.437 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.4 121.74 45.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.698 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.464 ' HB3' ' N ' ' A' ' 53' ' ' GLN . 43.0 t0 -139.23 126.39 21.26 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.38 -11.79 76.37 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.325 -0.464 . . . . 0.0 112.785 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 12.69 25.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 110.092 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.67 99.14 2.02 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.597 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' N ' ' HB3' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -60.93 114.0 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.132 0.491 . . . . 0.0 111.476 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -90.7 106.81 18.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.479 HG23 ' HB3' ' A' ' 21' ' ' LEU . 20.9 mt -107.51 93.26 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -110.84 108.18 17.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -96.94 93.61 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.736 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -103.2 90.71 3.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.963 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -97.99 80.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.972 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -86.91 66.85 9.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.439 0.637 . . . . 0.0 109.98 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 10.8 mt -88.15 -11.01 48.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.996 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.86 -137.18 28.17 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.775 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -78.21 33.96 0.2 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -77.75 -13.86 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.41 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.8 t80 65.35 80.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.08 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -92.95 127.46 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.282 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -75.59 92.13 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.87 -20.24 49.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.824 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' A' ' 68' ' ' LYS . 31.0 mm-40 -59.53 -42.58 92.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.658 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.2 mm100 -64.56 -45.81 85.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 3.6 tt0 -64.06 -45.43 88.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.83 -47.58 84.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.226 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.2 pt20 -58.6 -32.65 69.19 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -84.44 -29.96 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.648 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.2 m -74.15 -28.06 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -49.62 -37.81 29.46 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.73 -29.17 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.621 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.58 -27.54 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.998 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -19.37 64.32 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.39 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.175 0.512 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -153.03 46.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.331 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -78.69 63.77 3.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.264 0.554 . . . . 0.0 112.205 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.22 -16.09 58.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.817 0.818 . . . . 0.0 109.1 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.538 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -75.42 169.79 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.315 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -88.17 71.45 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.471 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.4 p -99.66 129.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.593 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -142.2 102.82 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.172 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -99.81 135.77 40.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.335 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.5 tt -152.49 139.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.118 0.485 . . . . 0.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' OD1' ' HG3' ' A' ' 92' ' ' GLU . 3.2 p30 -111.2 -169.23 1.42 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.035 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m -147.24 37.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.629 0.252 . . . . 0.0 110.744 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.477 ' HG3' ' OD1' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -85.42 -172.63 4.24 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.984 -179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -128.71 124.85 62.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.575 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -61.01 118.09 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.957 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.4 t -154.47 148.91 26.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.6 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -87.93 84.68 6.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.533 . . . . 0.0 110.348 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -101.29 119.98 39.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.119 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.97 67.41 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.222 0.534 . . . . 0.0 110.093 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.32 89.51 5.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.819 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -70.22 138.07 51.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.722 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -76.55 62.67 1.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.374 0.607 . . . . 0.0 111.337 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.4 tp -120.33 112.46 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -133.53 157.48 45.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.947 0.404 . . . . 0.0 110.905 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -103.44 16.85 25.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.044 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.006 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -67.81 138.87 56.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 0.0 110.779 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -139.55 168.58 19.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.262 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.5 ttm -80.47 124.67 29.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.113 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.58 163.73 14.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.544 HG22 ' H ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -83.67 -167.99 1.94 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.794 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.544 ' H ' HG22 ' A' ' 6' ' ' THR . 60.6 pttt -73.72 156.75 37.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.114 0.483 . . . . 0.0 110.502 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -102.34 152.47 21.04 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.298 -179.109 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -97.2 -63.2 1.15 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.223 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -122.96 137.14 55.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.38 162.55 29.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.711 0.291 . . . . 0.0 111.049 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -160.96 131.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.829 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -155.25 139.93 17.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mt -132.06 104.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -94.34 108.92 20.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.22 31.97 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.67 -85.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.255 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -105.34 15.71 26.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.332 0.587 . . . . 0.0 110.181 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.43 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m120 -119.53 178.55 4.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.301 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.24 -80.9 0.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.389 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 60.8 tp -171.52 98.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.226 0.536 . . . . 0.0 110.747 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.86 104.27 11.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD21 HG22 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -118.02 139.8 50.67 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.003 0.43 . . . . 0.0 110.515 -179.175 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -139.56 123.1 17.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.377 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 tp -129.73 135.76 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.817 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -124.91 63.54 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.33 109.65 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.122 0.487 . . . . 0.0 110.18 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.61 146.17 24.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.766 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.5 m 64.79 34.84 9.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.514 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -132.62 166.49 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.842 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -90.7 118.42 30.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -89.82 28.41 1.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.685 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.19 -39.28 63.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.751 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.6 mt -70.66 -31.7 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.39 -46.26 20.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.462 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.36 -41.5 89.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.279 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.62 -50.3 61.17 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.911 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.73 -39.54 84.26 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -57.9 -55.41 35.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.58 -42.14 95.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.004 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.0 ttt -60.18 -57.94 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.868 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.04 -39.34 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 m -51.63 -39.89 58.9 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mt -97.44 -22.94 4.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.674 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 -63.09 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.88 125.02 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 111.619 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -135.71 24.05 3.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.67 0.748 . . . . 0.0 109.316 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.72 84.49 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.235 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.97 -47.62 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.342 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.09 -32.34 7.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.049 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.15 -45.02 4.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.42 83.17 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.27 115.84 2.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 0.0 112.231 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -96.83 112.48 24.21 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.699 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 17.4 mt -115.18 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.562 0.696 . . . . 0.0 109.608 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -101.7 98.75 8.99 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.063 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG22 HD21 ' A' ' 23' ' ' LEU . 21.4 t -85.84 95.19 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.506 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -104.07 96.37 6.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -104.22 98.98 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 68.84 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD13 HH11 ' A' ' 64' ' ' ARG . 8.7 mt -83.25 -14.06 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.532 -178.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.79 -135.05 28.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.69 20.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.524 HH11 HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.51 -37.07 77.34 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 179.42 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.2 t80 62.02 86.44 0.11 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.658 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 64' ' ' ARG . 58.2 tp -103.52 160.1 15.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.528 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -76.77 68.12 2.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -34.61 14.22 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.063 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -30.08 70.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.082 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 7.0 mm100 -69.84 -39.61 76.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.616 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 4.2 mp0 -72.94 -37.22 67.23 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 35.5 tt0 -63.99 -46.54 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.653 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.8 pp0? -56.29 -31.12 63.34 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.7 pp -87.28 -22.0 25.44 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.603 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.7 m -81.46 -20.5 40.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.187 0.518 . . . . 0.0 110.005 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 25.7 mm-40 -56.98 -27.58 61.52 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.913 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.64 -40.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.57 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.83 -32.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.069 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -60.68 -24.9 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.205 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m -59.85 -27.95 67.09 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.008 0.433 . . . . 0.0 111.412 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -152.05 57.45 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.787 0.803 . . . . 0.0 109.175 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -77.87 79.06 4.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.167 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -81.87 -18.41 43.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.751 0.786 . . . . 0.0 109.38 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.31 167.95 20.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.511 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -84.1 73.55 10.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.454 0.645 . . . . 0.0 110.186 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 13.7 p -93.16 141.93 13.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.457 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -155.14 86.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.997 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 m -98.26 116.76 31.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.76 146.1 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.801 0.334 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -117.03 -146.13 0.4 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.61 81.15 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 118.365 0.53 . . . . 0.0 110.931 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -83.58 99.32 10.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.606 0.717 . . . . 0.0 110.603 179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 94' ' ' ILE . 2.3 p -65.57 -35.12 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.784 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.432 HG22 HG13 ' A' ' 93' ' ' VAL . 5.3 tt -141.97 121.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.157 0.504 . . . . 0.0 110.316 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.06 82.19 4.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.237 0.541 . . . . 0.0 109.775 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -90.02 159.72 16.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.411 ' HE2' ' OE2' ' A' ' 98' ' ' GLU . 1.2 tpmt? -79.81 139.17 37.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.242 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' OE2' ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -81.93 48.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.319 0.58 . . . . 0.0 110.235 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.53 59.61 4.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.232 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -115.05 126.42 54.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -76.5 81.27 3.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.436 0.636 . . . . 0.0 110.221 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.7 tp -128.23 137.15 58.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.348 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -157.74 107.45 2.14 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.99 23.14 2.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.114 0.483 . . . . 0.0 110.726 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.345 179.84 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.039 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -101.59 170.53 8.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.51 0.195 . . . . 0.0 110.673 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -75.52 137.55 40.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 0.0 111.089 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -176.95 4.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.247 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -71.63 154.45 41.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.258 0.551 . . . . 0.0 111.229 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.69 167.22 14.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.2 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -55.61 151.62 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.19 0.519 . . . . 0.0 112.202 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.49 168.36 19.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.125 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.71 -73.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.608 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -109.3 162.83 13.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.251 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -162.3 163.96 27.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.734 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.91 136.67 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.017 0.437 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -132.32 135.16 46.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mt -133.59 93.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.265 0.555 . . . . 0.0 109.7 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -87.97 110.45 20.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.613 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.37 30.43 2.42 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.172 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.15 115.5 30.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.473 0.178 . . . . 0.0 111.188 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.76 43.41 30.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.12 -154.41 0.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.781 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 47' ' ' TYR . . . -99.73 -83.99 1.77 Allowed Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.95 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 39' ' ' GLN . 37.0 tp -168.96 94.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.036 0.446 . . . . 0.0 110.73 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.49 99.44 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.896 0.379 . . . . 0.0 109.983 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.64 152.9 40.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.081 0.467 . . . . 0.0 111.182 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -151.45 120.14 6.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.699 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.8 127.31 51.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.7 73.32 1.12 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -144.34 138.51 27.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.03 147.32 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m 61.55 25.76 15.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.91 -1.041 . . . . 0.0 113.067 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -114.68 167.49 10.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.55 0.214 . . . . 0.0 110.542 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -77.08 146.16 37.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -126.42 16.28 7.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.03 -37.82 75.07 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.243 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.2 mm? -73.51 -38.71 65.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 109.991 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.12 -48.26 82.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.564 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 15.5 t0 -62.65 -47.13 85.05 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.148 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.75 -25.48 58.89 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.952 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -81.65 -51.46 8.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.613 0.244 . . . . 0.0 110.852 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.599 ' HB2' HD21 ' A' ' 21' ' ' LEU . 1.7 pp0? -68.36 -34.58 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.628 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -74.22 -6.37 47.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 111.302 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 ttm -114.41 -49.12 2.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.517 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.27 -33.46 71.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -65.86 -11.41 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.116 0.26 . . . . 0.0 111.441 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -115.09 -30.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.109 0.481 . . . . 0.0 110.144 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.07 -58.31 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.761 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.45 99.54 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 3.8 p90 -133.66 23.15 3.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.547 0.689 . . . . 0.0 109.227 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 102.59 12.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.995 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 38.8 t70 -120.27 -177.5 3.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.415 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -76.11 56.07 3.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 62.78 26.29 15.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.275 0.63 . . . . 0.0 111.506 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.5 22.35 3.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.133 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.73 125.26 23.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.383 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -100.32 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.083 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 44.2 mt -112.77 88.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -121.3 103.67 9.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -85.93 95.59 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.601 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -94.12 83.2 4.24 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.982 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.8 74.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.12 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -85.75 62.02 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.546 0.688 . . . . 0.0 109.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.29 -25.41 46.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.202 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.64 -128.97 8.82 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.4 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -77.96 28.67 0.17 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.59 -25.7 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 58.93 64.38 1.43 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.081 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.7 tp -81.91 146.85 29.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.907 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -79.64 70.59 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -15.48 2.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.75 -22.57 65.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.001 0.429 . . . . 0.0 110.115 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.649 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 5.3 mm100 -73.8 -53.1 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.396 0.617 . . . . 0.0 109.519 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.588 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 24.2 mp0 -65.54 -34.0 77.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.194 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 tp10 -59.01 -46.75 87.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 7.9 pt20 -62.08 -36.76 82.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -80.15 -30.61 38.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.506 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -70.91 -27.72 64.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 47.2 mm-40 -55.62 -31.7 62.5 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.128 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.91 -46.35 88.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.17 0.509 . . . . 0.0 110.206 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.91 -32.92 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.025 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -63.27 -20.53 65.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.702 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.412 ' HB2' ' HD3' ' A' ' 81' ' ' LYS . 37.5 m -66.59 -24.78 66.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.172 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 80' ' ' SER . 0.9 OUTLIER -149.31 60.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.279 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 1.1 pttt -74.27 75.02 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.56 0.695 . . . . 0.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -86.11 -32.41 21.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.941 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.512 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -72.88 167.51 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.597 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.95 73.84 6.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 109.618 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 14.4 p -109.13 134.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.175 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.27 117.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.367 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.3 m -108.9 146.26 34.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.7 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -153.86 138.74 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.966 0.412 . . . . 0.0 110.57 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -122.55 -176.41 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.655 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -125.68 45.76 2.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.811 0.339 . . . . 0.0 111.017 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.14 -172.36 0.41 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.358 0.599 . . . . 0.0 111.103 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.99 136.33 58.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.743 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.98 122.08 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.257 0.551 . . . . 0.0 110.068 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -121.93 104.02 9.24 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.456 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -93.21 74.37 4.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.003 0.43 . . . . 0.0 109.919 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -169.24 137.15 1.88 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.03 53.24 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 110.537 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.43 -1.98 58.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.758 0.313 . . . . 0.0 111.515 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -81.01 122.38 27.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.067 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -82.28 98.4 8.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.7 tp -141.05 146.54 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.451 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -138.9 151.33 46.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.16 16.05 10.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.362 0.601 . . . . 0.0 109.504 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.246 0.884 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.011 -179.451 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.634 -0.186 . . . . 0.0 112.634 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -90.53 -40.85 11.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.938 0.399 . . . . 0.0 110.579 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -161.25 162.02 30.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.168 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.1 mtp -110.08 148.9 30.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.808 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -136.77 149.6 47.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.231 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.93 -173.65 2.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.058 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -79.29 162.85 25.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 154.15 25.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.035 0.445 . . . . 0.0 110.911 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -102.91 -51.24 3.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.432 0.634 . . . . 0.0 109.803 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -117.54 101.77 8.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.375 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -121.74 162.62 20.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.879 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.39 144.28 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.461 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -138.03 134.1 34.38 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -131.96 99.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.001 0.429 . . . . 0.0 110.554 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -93.15 98.48 11.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.34 87.82 0.27 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.777 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -175.25 111.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 61.44 40.74 13.6 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.642 0.734 . . . . 0.0 110.776 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -161.03 -157.19 0.5 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.77 -87.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.905 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 55' ' ' ILE . 19.4 tp -161.82 95.91 1.0 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 97.0 6.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.213 0.53 . . . . 0.0 109.965 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 23' ' ' LEU . 2.3 pt? -128.96 152.32 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -147.69 123.65 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -116.26 136.07 53.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.75 70.71 1.07 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.187 0.518 . . . . 0.0 110.882 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t0 -129.02 176.63 7.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.576 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.19 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.334 -0.246 . . . . 0.0 110.334 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t 64.2 14.42 8.62 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.849 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.53 -174.29 2.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -120.79 119.73 33.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD2' HD21 ' A' ' 61' ' ' LEU . 1.6 m-20 -74.3 37.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.5 -44.27 96.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.67 0.271 . . . . 0.0 110.865 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.8 -33.03 70.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.528 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.08 -49.45 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.373 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.14 -40.11 80.48 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.595 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.66 75.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.314 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.39 -38.64 68.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 110.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -58.54 -54.57 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -24.93 64.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.234 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.11 -57.52 3.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.35 -39.42 83.18 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 m -60.1 -25.74 65.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mt -106.3 -20.67 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.241 0.544 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -83.81 -46.45 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.631 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -153.46 96.57 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.161 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -120.91 8.81 10.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.191 0.52 . . . . 0.0 110.434 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -126.3 118.37 24.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.396 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -104.38 -60.65 1.56 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.99 -28.53 5.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.736 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -103.92 -29.19 11.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.076 0.465 . . . . 0.0 109.964 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.6 80.73 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.301 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -65.81 110.08 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.065 0.459 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -85.08 112.43 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.654 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 mt -114.63 91.18 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.211 0.529 . . . . 0.0 109.955 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -121.07 115.24 22.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.937 0.399 . . . . 0.0 110.531 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 t -106.08 101.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.608 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -110.09 94.81 5.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.23 87.78 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.418 0.628 . . . . 0.0 110.139 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -85.78 63.62 8.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.673 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 14.5 mt -86.57 -54.12 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.143 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.76 -113.76 4.82 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.951 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.87 29.92 0.2 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 61' ' ' LEU . 6.3 tpm_? -81.38 -35.5 30.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 58.06 48.3 13.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.516 0.674 . . . . 0.0 109.989 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.16 144.23 57.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.207 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -77.33 71.81 3.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.858 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.622 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 2.2 pttt -54.06 -17.82 3.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.443 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.073 0.463 . . . . 0.0 110.046 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 16.4 mm100 -68.6 -36.39 78.62 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.168 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.622 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 17.2 mp0 -83.85 -36.78 23.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.419 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -61.55 -42.14 98.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.454 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.7 pp0? -57.93 -36.32 72.34 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 1.9 pp -83.77 -33.18 25.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.217 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.7 m -65.95 -31.66 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.483 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -56.61 -27.61 58.59 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.594 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.5 -37.93 88.23 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.473 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.81 -16.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.212 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.589 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -69.33 -11.79 61.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 111.241 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.88 37.9 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.966 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -75.62 52.23 0.64 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.086 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.74 -23.57 53.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.86 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -70.47 173.22 7.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.874 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -81.9 69.74 8.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.041 0.448 . . . . 0.0 110.037 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.654 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.4 p -108.38 126.64 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.341 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.52 103.36 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -97.58 130.06 44.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.358 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.3 tt -138.68 137.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -114.85 -168.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -131.78 42.32 3.18 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.48 173.15 6.23 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.876 0.37 . . . . 0.0 111.277 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.21 -12.5 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.148 0.499 . . . . 0.0 110.592 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 tp -161.25 121.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.08 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 t -84.33 179.91 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.02 0.438 . . . . 0.0 111.113 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -109.34 159.2 17.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 0.0 111.111 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -148.13 101.41 3.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.873 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -82.64 53.71 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.107 0.479 . . . . 0.0 111.703 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.96 88.82 3.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -117.85 150.21 39.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.918 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -85.26 85.67 7.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.273 0.559 . . . . 0.0 110.367 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 tp -145.95 123.82 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.589 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -141.23 148.76 40.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.277 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -112.49 33.44 4.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.432 0.634 . . . . 0.0 109.955 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.666 -179.839 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -80.24 140.45 36.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.617 -0.343 . . . . 0.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -110.26 173.03 6.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.382 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.4 mtt -130.58 174.79 9.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.39 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -71.21 132.79 45.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.935 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -51.18 58.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.961 0.41 . . . . 0.0 110.509 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -149.23 159.46 44.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.896 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.52 154.28 44.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.081 0.467 . . . . 0.0 110.932 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -93.87 -43.1 8.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.049 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -102.06 136.6 41.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.712 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -159.03 177.52 11.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.927 0.394 . . . . 0.0 111.473 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.24 143.22 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -146.16 134.79 22.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mt -134.92 116.79 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -127.53 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.905 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.19 45.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.653 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -94.76 -33.68 12.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 111.593 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -132.35 9.59 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.089 0.471 . . . . 0.0 110.951 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -136.24 -177.17 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.27 -86.03 0.03 OUTLIER Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.004 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HB3' HG23 ' A' ' 55' ' ' ILE . 53.4 tp -170.7 109.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.891 0.376 . . . . 0.0 110.984 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.69 102.02 8.54 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -123.77 149.72 45.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.37 . . . . 0.0 110.984 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -155.63 125.58 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.436 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 tt -131.79 129.9 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -122.05 82.33 1.94 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.52 0.2 . . . . 0.0 110.785 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -158.28 126.48 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 110.393 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.23 159.0 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.142 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 m 68.96 11.07 8.24 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.242 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -115.57 166.93 11.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.1 140.17 30.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.479 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 19.78 10.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.916 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.38 -36.57 80.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -73.74 -14.58 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.04 -49.01 6.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 21.7 t0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.34 59.99 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.84 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.17 -30.77 27.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG2' HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -57.77 -47.65 81.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.343 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -8.88 59.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.375 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 ttt -90.84 -59.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.59 -39.51 80.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -57.56 -42.02 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.126 0.489 . . . . 0.0 111.221 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.3 -34.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.11 -59.1 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.506 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.05 105.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.953 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -109.78 20.3 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.492 0.663 . . . . 0.0 109.24 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.62 103.68 13.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -127.21 124.13 38.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.48 -12.12 84.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.329 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -96.25 0.03 50.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.015 0.436 . . . . 0.0 109.865 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.13 95.85 2.41 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.42 99.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.0 111.837 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -89.99 112.14 23.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.936 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.503 HG23 ' HB3' ' A' ' 21' ' ' LEU . 63.5 mt -106.58 95.99 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 m -114.12 105.04 12.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.132 0.492 . . . . 0.0 111.762 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 HD11 ' A' ' 23' ' ' LEU . 19.7 t -91.24 88.39 2.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -93.74 85.76 4.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 111.105 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.86 68.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.624 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -83.77 59.41 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.329 0.585 . . . . 0.0 109.688 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.98 -68.54 0.54 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.745 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.08 -141.23 12.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.54 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.31 30.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -9.54 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.8 t80 65.98 80.06 0.23 Allowed 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.684 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.5 156.55 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.279 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.19 94.6 5.1 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.838 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.527 ' HE3' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -59.86 -18.71 46.38 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.902 0.382 . . . . 0.0 110.453 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' OE2' ' HE3' ' A' ' 68' ' ' LYS . 55.8 mm-40 -63.59 -35.08 79.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.491 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.34 -45.37 73.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.796 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' ' HA ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -67.47 -44.24 79.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.122 0.487 . . . . 0.0 109.691 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 18.0 tt0 -56.85 -52.24 65.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.639 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -59.44 -39.86 84.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -75.11 -31.96 61.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.002 0.43 . . . . 0.0 110.473 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -71.09 -32.79 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.576 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 9.1 mm-40 -52.12 -29.42 21.71 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.23 -37.59 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.831 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.43 -18.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.164 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.49 71.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -25.08 67.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.44 0.638 . . . . 0.0 110.938 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -136.56 53.4 1.92 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -73.83 56.19 0.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.726 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.66 -29.49 51.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -69.85 152.02 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.558 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.33 86.22 6.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.185 0.517 . . . . 0.0 110.742 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 12.3 p -103.91 138.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -156.08 104.85 2.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 m -103.57 155.23 18.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 tt -155.37 117.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.346 0.593 . . . . 0.0 109.751 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.98 -174.53 2.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.017 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m -137.94 74.56 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -86.14 168.96 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.378 0.608 . . . . 0.0 111.276 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 p -121.36 125.14 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.185 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.7 mt 69.89 84.63 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.484 0.659 . . . . 0.0 110.339 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.12 146.88 41.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.936 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -104.47 173.04 6.48 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -99.64 144.21 28.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.539 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -83.72 67.03 9.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.259 0.552 . . . . 0.0 110.689 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.32 72.42 9.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.638 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -140.64 142.52 34.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.293 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -91.39 76.45 5.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.279 0.561 . . . . 0.0 109.98 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.3 tt -109.03 135.49 47.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.333 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -144.83 120.8 10.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -92.19 21.33 5.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.59 0.709 . . . . 0.0 110.663 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.198 179.581 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -67.61 109.56 3.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.855 0.36 . . . . 0.0 111.115 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -132.17 144.19 50.5 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -71.15 145.86 49.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.765 0.316 . . . . 0.0 110.998 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -85.38 118.91 25.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -61.63 2.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.034 0.445 . . . . 0.0 111.295 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -161.14 176.86 10.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.013 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.33 172.7 12.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.477 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -86.12 -42.17 14.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.073 0.463 . . . . 0.0 110.371 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -91.11 124.63 35.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.253 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -158.42 -178.99 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -145.71 138.28 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.259 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -133.45 134.39 43.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.965 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.57 124.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.566 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 23.8 pttt -138.66 135.79 35.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.147 0.499 . . . . 0.0 110.239 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.41 31.43 0.58 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.231 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -95.16 115.1 26.99 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.623 -0.34 . . . . 0.0 110.409 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 mttp 62.66 15.55 8.13 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.826 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 4.8 m120 -130.58 177.78 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.274 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.86 -84.83 0.21 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.538 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 39' ' ' GLN . 44.8 tp -170.36 109.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.967 0.413 . . . . 0.0 110.631 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -127.51 112.96 15.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.861 0.363 . . . . 0.0 110.514 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD21 HG22 ' A' ' 57' ' ' VAL . 1.2 pt? -140.84 153.4 45.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.431 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -150.82 128.16 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.17 129.01 51.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.27 103.14 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.406 0.146 . . . . 0.0 111.191 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.601 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.5 t70 -166.05 -165.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' OD1' ' A' ' 63' ' ' ASN . . . -162.85 142.79 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.65 31.87 21.16 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 110.695 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 m -122.23 156.3 34.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.44 156.85 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.398 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -105.68 17.89 23.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.74 -42.2 67.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -87.37 1.29 53.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.382 . . . . 0.0 111.134 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -103.33 -50.83 3.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.962 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 6.4 t70 -57.36 -48.14 79.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.722 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.55 -28.98 38.65 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.191 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.647 0.261 . . . . 0.0 110.795 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.851 ' HB2' HD21 ' A' ' 21' ' ' LEU . 2.3 pp0? -62.36 -35.99 80.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.598 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 3.4 t-20 -63.77 -54.11 40.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.03 -41.32 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 23.0 mt -59.6 -43.68 93.64 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m -65.46 -14.28 60.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.783 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.39 -43.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.445 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 pt-20 -73.53 -35.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.55 97.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -114.62 8.39 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.627 0.727 . . . . 0.0 109.329 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.27 90.16 5.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 2.8 t70 -69.09 -54.06 16.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.05 -28.11 8.2 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.15 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -118.6 -52.1 2.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 0.0 110.487 -178.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.85 81.59 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 98.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.274 0.559 . . . . 0.0 111.868 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -87.33 101.53 13.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.42 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.79 HG23 ' HB3' ' A' ' 21' ' ' LEU . 32.2 mt -102.82 75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.5 m -111.46 97.85 7.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.015 0.436 . . . . 0.0 112.075 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG22 HD21 ' A' ' 23' ' ' LEU . 21.7 t -82.88 89.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -99.73 99.5 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.76 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.5 153.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.889 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' HD2' ' OG ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.1 71.9 1.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.322 179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.601 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 17.4 mt -106.77 -52.44 2.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.568 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 85.15 -86.41 1.56 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.735 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.41 ' OD1' ' HB1' ' A' ' 28' ' ' ALA . 46.0 p-10 -84.38 46.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.256 0.55 . . . . 0.0 110.891 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -22.8 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.951 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 49.0 48.38 20.8 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.48 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 tp -99.27 137.39 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -67.87 116.59 8.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.74 63.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 110.317 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -64.36 -29.77 70.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.073 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.3 mm100 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.821 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 34.3 mt-10 -73.63 -38.9 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.89 -44.62 96.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.858 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.9 pt20 -62.48 -23.82 67.13 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -95.99 -35.66 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.245 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -73.21 -20.11 60.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.44 -36.11 61.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.787 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.61 -26.27 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -97.21 -31.18 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.584 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -56.26 -32.16 64.25 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -14.7 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.836 0.35 . . . . 0.0 111.323 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -144.45 38.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 110.044 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 21.6 pttp -81.02 52.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.52 0.676 . . . . 0.0 110.991 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.41 4.78 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.226 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -96.67 172.93 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.03 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -82.71 62.43 6.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -97.29 138.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 107.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -103.11 148.62 25.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.277 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.4 tt -170.61 155.61 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.62 159.34 40.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.501 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -78.17 58.26 2.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.984 0.421 . . . . 0.0 111.156 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.555 ' HB2' ' HG1' ' A' ' 95' ' ' THR . 0.0 OUTLIER -60.36 141.44 56.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.81 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.2 p -102.0 77.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.827 0.823 . . . . 0.0 110.979 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.6 mt 55.92 64.25 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.677 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.555 ' HG1' ' HB2' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -87.41 62.12 6.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.445 0.64 . . . . 0.0 110.762 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -98.25 106.15 18.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.049 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -151.34 131.76 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -90.52 82.08 5.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.332 0.587 . . . . 0.0 110.388 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.38 84.52 7.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.715 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -74.62 105.31 5.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -71.99 93.69 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.235 0.54 . . . . 0.0 111.102 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.7 tt -145.53 131.42 13.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.53 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HD3' ' OE2' ' A' ' 105' ' ' GLU . 1.6 mmp_? -129.98 146.35 51.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.742 0.306 . . . . 0.0 110.631 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -94.87 -23.46 17.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.309 0.576 . . . . 0.0 110.165 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' OE2' ' HD3' ' A' ' 103' ' ' ARG . 1.8 pm0 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.75 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -74.49 104.43 5.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.137 0.494 . . . . 0.0 111.36 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -129.17 153.12 48.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.829 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -89.15 150.14 22.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.798 0.332 . . . . 0.0 110.401 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -81.15 109.8 16.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.419 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -59.38 3.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.691 0.282 . . . . 0.0 110.422 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -165.19 173.18 11.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.206 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 170.58 17.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -90.02 -46.65 8.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.27 113.67 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.641 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -157.33 176.49 12.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.464 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.15 148.26 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -144.82 131.87 20.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mt -138.68 120.71 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.979 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -131.81 137.92 48.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.529 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -164.43 48.18 0.3 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.026 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 t -100.36 108.36 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.631 -0.334 . . . . 0.0 110.263 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt 64.42 14.08 8.57 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.888 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.543 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 15.5 m120 -127.87 -179.32 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.05 -95.88 0.03 OUTLIER Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.58 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HB3' HG23 ' A' ' 55' ' ' ILE . 30.7 tp -168.11 101.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.202 0.525 . . . . 0.0 110.449 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -116.52 116.81 28.32 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -143.5 154.46 43.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.957 0.408 . . . . 0.0 110.597 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 42.3 t60 -152.21 135.9 16.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.115 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.55 124.42 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.067 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -105.7 108.5 20.05 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t70 -170.25 -167.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -167.38 140.51 3.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.562 0.22 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m 62.62 23.56 14.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.43 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.82 167.63 10.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.44 144.06 26.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.469 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -108.72 16.67 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.23 -36.93 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 111.601 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.81 -20.79 61.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.203 0.525 . . . . 0.0 110.386 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tp -85.56 -43.27 13.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.592 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 11.0 t70 -59.47 -47.3 86.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.53 59.54 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.602 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.16 -53.23 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 111.211 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HB2' HD21 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -64.2 -37.98 89.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.608 -178.712 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -63.92 -49.31 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.2 ttt -62.1 -49.42 75.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.089 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.86 -47.86 84.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 m -65.3 -12.86 55.98 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -92.29 -48.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.0 -27.7 16.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.2 85.04 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.132 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -120.31 11.77 11.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.043 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 m -101.04 99.83 10.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.543 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 5.5 t70 -83.04 -44.48 15.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.405 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.8 -43.57 1.65 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.659 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -99.82 -45.13 5.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.366 0.603 . . . . 0.0 110.046 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.48 92.21 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.404 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.07 94.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.109 0.48 . . . . 0.0 110.972 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -78.71 90.62 4.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.071 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.595 HG23 ' HB3' ' A' ' 21' ' ' LEU . 43.8 mt -96.05 85.64 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 m -118.2 100.46 7.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.151 0.501 . . . . 0.0 111.765 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.69 93.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 67.3 m170 -100.13 97.09 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.507 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -94.78 135.97 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.45 60.66 0.94 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 36.0 mt -100.87 -49.7 4.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.111 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 87.79 -96.55 2.19 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.687 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -87.11 60.24 6.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.745 0.784 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 17.4 ptt-85 -84.23 -18.97 34.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.537 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.1 t80 50.58 57.71 6.31 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.9 tp -114.53 142.08 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.5 121.06 21.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -25.23 68.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.126 0.489 . . . . 0.0 110.291 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 mp0 -60.49 -35.48 76.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.005 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 17.1 mm100 -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 8.9 mt-10 -85.57 -43.26 13.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.707 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.75 -34.07 75.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 22.5 pt20 -60.07 -35.89 76.17 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.1 pp -88.79 -25.08 22.44 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.6 m -69.8 -21.59 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.675 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.23 -31.39 63.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.308 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.52 -29.62 68.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.303 0.573 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.27 -26.86 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.708 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -27.26 62.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 p -73.33 -16.66 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 0.0 110.731 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -145.79 42.3 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.389 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -84.07 46.78 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.313 0.578 . . . . 0.0 111.11 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.05 -0.62 57.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.884 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -92.24 175.84 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.025 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.64 73.94 6.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -110.44 125.33 67.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -152.54 113.54 4.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -106.16 141.81 36.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tp -160.34 146.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.461 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.596 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 29.1 t0 -127.57 165.9 19.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.532 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.9 m -81.31 43.94 0.76 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.508 ' HB2' ' HG1' ' A' ' 95' ' ' THR . 0.8 OUTLIER -59.01 140.78 55.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.077 0.465 . . . . 0.0 110.998 -179.354 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.9 p -101.33 79.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.342 0.592 . . . . 0.0 111.315 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.8 mt 49.74 56.42 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.4 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.508 ' HG1' ' HB2' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -82.49 74.07 9.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.67 -179.573 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -104.01 72.17 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.123 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -98.91 134.94 41.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.26 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -81.74 71.95 8.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.23 0.538 . . . . 0.0 109.812 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.7 85.15 2.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.201 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -87.97 107.4 18.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.63 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -73.74 100.01 3.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.156 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 tt -149.03 136.36 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.3 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.96 145.55 46.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.16 33.44 5.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.928 0.87 . . . . 0.0 108.715 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.991 -179.535 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -77.88 153.93 32.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -131.25 122.37 26.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.748 0.309 . . . . 0.0 110.776 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 43.2 mtt -73.93 172.47 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.723 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -91.66 128.69 37.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.971 0.415 . . . . 0.0 111.016 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.84 174.29 5.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -74.0 162.43 29.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.798 0.333 . . . . 0.0 110.614 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 173.0 12.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.491 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -88.27 -62.04 1.58 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.281 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 19.8 pt20 -94.23 143.42 26.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -167.53 -169.88 1.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.241 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.17 143.9 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.465 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -152.44 139.93 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.406 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.8 127.16 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.159 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.93 106.26 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.396 . . . . 0.0 110.112 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.83 79.8 0.19 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -130.88 -69.87 0.63 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.755 0.312 . . . . 0.0 111.46 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -110.29 40.42 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.746 0.784 . . . . 0.0 109.147 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -158.68 -162.79 1.15 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.704 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.52 -95.18 0.32 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.045 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 55' ' ' ILE . 29.7 tp -163.17 101.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.284 0.564 . . . . 0.0 110.308 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.31 101.25 8.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.925 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 23' ' ' LEU . 2.5 pt? -133.9 154.41 51.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.79 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -153.45 128.36 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.584 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -116.39 132.63 56.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -123.52 76.4 1.41 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.41 127.65 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.057 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.98 153.96 19.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.558 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.7 m 62.21 27.04 16.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.653 0.381 . . . . 0.0 111.528 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.9 m -127.4 158.81 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -92.38 128.23 38.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.007 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.52 34.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.401 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -60.15 -35.43 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.296 0.569 . . . . 0.0 110.567 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.23 -3.5 57.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.95 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -103.98 -52.83 2.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.501 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.59 78.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.291 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.46 99.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.3 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.54 -31.56 32.65 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.702 -0.293 . . . . 0.0 110.558 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -54.47 46.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.148 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -68.61 -34.95 76.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.8 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.3 tpp -61.73 -56.23 21.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.697 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.37 -36.52 84.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -61.35 -21.44 64.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 111.51 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -104.59 -34.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 110.348 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.96 -57.65 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.495 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -155.42 118.0 4.23 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.064 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -145.97 26.33 1.24 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.43 0.633 . . . . 0.0 109.539 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -104.16 84.11 2.18 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.655 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' HD3' ' A' ' 51' ' ' LYS . 25.8 t0 -96.04 145.58 25.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.076 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -95.65 -7.98 58.63 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HD3' ' OD1' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -107.0 18.05 22.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.98 0.419 . . . . 0.0 109.907 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.58 91.68 1.1 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.009 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.64 117.75 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.166 0.507 . . . . 0.0 111.795 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -93.41 107.59 19.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.674 HG23 ' HB3' ' A' ' 21' ' ' LEU . 9.9 mt -112.02 67.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.481 0.657 . . . . 0.0 109.821 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -95.93 90.68 5.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.188 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 88' ' ' SER . 41.7 t -81.43 102.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.897 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -106.52 93.62 4.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -95.64 82.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.211 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -94.37 74.87 3.89 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.631 HD13 ' HG2' ' A' ' 64' ' ' ARG . 1.4 mt -81.71 -65.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.977 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.622 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 130.87 -79.69 0.36 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.676 -0.774 . . . . 0.0 113.046 178.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.6 35.96 3.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 110.961 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.631 ' HG2' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -86.35 -23.46 26.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 t80 69.57 70.13 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.101 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' H ' ' HG3' ' A' ' 92' ' ' GLU . 10.6 tp -69.44 141.22 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.29 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -85.0 93.82 8.67 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -28.09 68.46 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.88 -35.47 76.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.0 110.147 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -71.52 -36.37 71.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.19 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 7.7 mm-40 -78.34 -38.56 41.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.44 0.638 . . . . 0.0 110.524 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.3 tt0 -61.7 -48.32 81.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.636 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -32.16 65.66 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -85.59 -32.52 22.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -70.18 -26.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.48 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 7.3 mm-40 -51.98 -37.33 52.73 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.376 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.73 -49.75 75.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.02 -29.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.25 56.15 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.843 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -142.87 50.42 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.959 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -78.75 59.51 2.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.465 0.65 . . . . 0.0 111.468 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -77.31 -16.25 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.741 0.782 . . . . 0.0 109.226 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.62 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -75.61 167.8 21.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.853 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.8 68.39 10.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 0.0 109.936 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 2.9 p -96.65 119.84 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.622 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -140.84 94.68 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.138 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -95.89 129.68 43.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.109 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.9 tt -148.94 135.28 12.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.978 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.2 p-10 -104.5 -176.55 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.894 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -139.0 32.5 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.603 0.24 . . . . 0.0 110.763 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.622 ' HA ' ' O ' ' A' ' 62' ' ' GLY . 8.2 mm-40 -87.56 -177.3 5.85 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.02 0.438 . . . . 0.0 111.04 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -114.94 132.06 65.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.085 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 42.7 mm -94.6 108.83 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.117 0.484 . . . . 0.0 111.075 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 t -138.09 174.73 10.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.637 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -84.94 118.45 24.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.728 0.299 . . . . 0.0 110.63 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -146.16 137.25 24.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -84.59 62.16 7.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.434 0.635 . . . . 0.0 110.324 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.78 75.53 6.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.261 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -79.42 136.85 37.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.798 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -75.86 78.1 2.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.245 0.545 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.6 tp -139.36 94.61 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.619 0.723 . . . . 0.0 110.506 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.67 138.22 32.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.647 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -91.08 13.13 17.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 110.576 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.534 -179.33 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.997 -0.441 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -76.71 160.16 29.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.99 0.424 . . . . 0.0 110.947 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -114.44 150.15 35.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.953 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.5 mmt -94.2 147.5 23.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.012 0.434 . . . . 0.0 110.708 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -90.69 93.94 9.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -74.33 -49.08 24.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.273 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -136.71 169.97 16.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.84 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.07 149.02 49.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.949 0.404 . . . . 0.0 110.648 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -88.79 -54.42 4.15 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.53 111.69 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.128 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.71 153.64 20.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.4 136.23 5.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.238 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 t -153.45 143.37 22.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.95 110.75 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -109.58 122.93 48.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.88 77.84 0.1 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.824 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 t -144.72 -48.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.61 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -107.88 -9.41 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 110.74 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -126.15 -158.62 0.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.96 -106.96 0.12 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.525 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' HB3' HG23 ' A' ' 55' ' ' ILE . 51.3 tp -148.84 105.18 3.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.121 0.486 . . . . 0.0 110.385 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -119.49 107.94 13.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.141 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.43 151.82 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.898 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 6.3 t-80 -152.02 128.17 10.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.501 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -126.91 133.84 50.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.14 60.21 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.788 ' OD2' ' HB2' ' A' ' 30' ' ' SER . 2.1 t70 -123.95 141.52 51.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.15 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.75 147.76 48.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.465 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.0 m 73.99 -29.44 0.2 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.679 0.792 . . . . 0.0 112.382 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.788 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 3.6 m -81.51 176.14 9.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -108.68 145.5 34.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.473 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 15.3 p-10 -100.75 49.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.983 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -33.37 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.512 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.73 -15.86 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.4 . . . . 0.0 111.27 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 11.7 tp -85.52 -52.67 5.68 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.694 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -32.41 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.561 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -50.75 61.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.016 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.3 -35.81 71.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.713 0.292 . . . . 0.0 110.389 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -54.84 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.07 -39.31 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.462 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -56.75 14.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.14 -36.32 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 t -64.85 -24.36 67.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -103.08 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 110.774 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -73.07 -66.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.232 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.14 118.32 3.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.826 0.346 . . . . 0.0 111.437 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -134.24 24.66 3.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.8 0.809 . . . . 0.0 109.117 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.33 90.74 8.19 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.809 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.61 -67.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.734 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.96 -40.82 1.92 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.296 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.4 0.619 . . . . 0.0 110.85 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.39 79.16 0.05 OUTLIER Glycine 0 C--N 1.314 -0.64 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 119.39 7.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.061 0.458 . . . . 0.0 111.534 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -94.19 102.56 14.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.8 mt -102.61 72.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -108.55 107.13 17.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.795 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -91.54 100.26 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.408 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 55.8 m170 -99.23 89.38 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.02 0.438 . . . . 0.0 110.573 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -96.7 74.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.476 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -79.57 64.34 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 110.101 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 8.5 mt -74.67 -75.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.621 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.57 -121.68 3.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.758 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -81.42 22.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.039 0.447 . . . . 0.0 111.064 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -65.89 -36.64 83.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.965 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 t80 54.56 66.1 1.33 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.479 0.657 . . . . 0.0 110.29 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.09 157.8 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.86 84.41 2.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.245 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -51.74 -42.56 62.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.38 -179.514 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -60.87 -28.62 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.4 mm100 -72.95 -38.47 66.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.687 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 22.3 mm-40 -79.78 -30.2 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.266 0.555 . . . . 0.0 109.826 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.1 tp10 -62.68 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 18.6 pt20 -59.48 -34.64 72.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.555 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.3 pp -81.34 -31.01 33.64 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.103 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -67.04 -31.68 72.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.795 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 11.2 mm-40 -53.52 -35.36 60.58 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.887 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.62 -48.13 82.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.597 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.38 -28.73 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.592 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.86 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.591 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 m -70.75 -21.93 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -149.1 53.34 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.523 0.678 . . . . 0.0 109.759 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -80.35 60.97 3.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.82 -27.96 36.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.326 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.555 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -75.66 173.88 10.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.54 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -83.81 69.38 10.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 0.0 110.551 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.556 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -96.15 125.57 48.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.358 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -154.39 109.82 3.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.85 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -107.12 134.96 49.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.164 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.79 131.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.976 0.417 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.3 p-10 -113.76 -161.57 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.8 t -132.2 36.89 3.6 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.2 153.59 14.8 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 p -96.12 -41.65 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.171 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.7 pt -135.91 140.86 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.81 0.338 . . . . 0.0 110.591 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -102.89 130.58 49.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -138.76 172.45 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -117.08 156.12 28.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.82 93.44 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 111.192 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.57 65.22 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -72.85 123.26 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.122 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -82.34 85.03 6.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.348 0.594 . . . . 0.0 109.846 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 tt -122.72 126.14 73.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.045 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 103' ' ' ARG . 5.8 mmp_? -129.15 117.0 20.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.262 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -89.49 -11.14 43.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.362 0.601 . . . . 0.0 109.614 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.013 179.279 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 112.17 -0.372 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m 69.68 89.44 0.1 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.261 0.553 . . . . 0.0 111.224 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -107.08 157.34 17.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.793 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.0 mtt -100.86 -179.75 4.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.594 0.235 . . . . 0.0 110.582 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -82.54 155.78 24.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.014 0.435 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -177.92 5.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.93 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -68.68 170.36 9.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.031 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.29 162.14 35.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.292 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -95.77 -44.01 7.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -103.21 125.64 49.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.068 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -165.1 -179.78 5.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.395 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -137.3 147.62 26.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.444 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -145.45 137.09 25.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 23' ' ' LEU . 11.9 mt -139.22 119.42 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.298 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -120.26 118.32 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.56 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -130.26 28.58 3.82 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.973 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -123.93 149.72 45.58 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.763 -0.257 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 57.32 23.66 9.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.556 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.456 ' CG ' ' H ' ' A' ' 20' ' ' GLY . 7.8 t-20 -173.56 -150.26 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.456 ' H ' ' CG ' ' A' ' 19' ' ' ASN . . . -96.38 -91.4 1.82 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' A' ' 55' ' ' ILE . 18.4 tp -154.63 109.52 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.63 102.25 8.11 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 23' ' ' LEU . 2.5 pt? -130.52 150.36 51.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.01 0.434 . . . . 0.0 111.183 -178.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -145.99 130.51 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.3 tp -120.31 136.39 54.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.57 77.16 1.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.728 0.299 . . . . 0.0 111.337 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 10.2 t70 -164.24 148.1 9.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.54 21.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.453 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.584 ' H ' ' HB2' ' A' ' 64' ' ' ARG . 80.3 m 52.61 34.77 16.47 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.971 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.525 ' O ' ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -125.95 137.2 53.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.084 0.469 . . . . 0.0 112.217 -179.042 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.41 95.87 8.73 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -89.77 82.67 6.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.758 0.79 . . . . 0.0 110.265 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.43 -17.51 63.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.604 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.22 -29.82 34.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.995 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -73.7 -50.43 20.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.099 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.99 61.43 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.64 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.09 -34.57 73.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.63 -0.137 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -58.16 8.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.211 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -65.7 -33.15 75.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 ttm -65.23 -56.45 12.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.013 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.439 HD13 ' HA3' ' A' ' 16' ' ' GLY . 27.1 mt -63.79 -43.85 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -61.14 -28.94 69.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 19.3 mm -91.64 -33.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.124 0.487 . . . . 0.0 111.014 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -66.19 -59.11 4.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.911 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.39 122.87 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.744 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -130.47 23.07 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.831 0.824 . . . . 0.0 108.968 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.72 92.61 9.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.44 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.73 -54.86 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.817 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.76 -26.74 21.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.675 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -117.57 -23.2 7.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 110.894 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.96 85.24 0.05 OUTLIER Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.61 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.49 134.71 45.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.153 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -111.39 112.07 23.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.785 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' A' ' 21' ' ' LEU . 18.6 mt -111.13 74.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -108.17 105.0 14.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.295 0.569 . . . . 0.0 111.548 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.1 94.49 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.419 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -99.09 88.3 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.021 0.439 . . . . 0.0 110.586 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.56 87.65 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.04 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.36 69.42 9.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mt -79.59 -77.4 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.317 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.67 -124.69 3.54 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.373 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -86.78 21.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.593 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.584 ' HB2' ' H ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -77.56 -27.74 51.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.174 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 58.32 77.9 0.27 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.98 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.2 tp -78.2 149.84 33.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.081 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -81.34 76.04 8.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -24.49 57.67 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.134 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.87 -28.89 70.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.096 0.474 . . . . 0.0 110.101 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -67.87 -37.88 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.475 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.727 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.3 mt-10 -83.87 -37.57 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -59.75 -41.71 91.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.383 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -61.78 -27.65 68.9 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.4 pp -92.29 -26.62 18.04 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.638 -0.425 . . . . 0.0 109.964 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -76.11 -21.89 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.233 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.36 -30.49 29.02 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.079 0.552 . . . . 0.0 112.128 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.2 -31.15 4.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.016 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -57.81 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 m -69.84 -11.5 60.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.379 . . . . 0.0 111.405 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -151.54 47.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 4.2 pttm -69.35 86.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.819 0.819 . . . . 0.0 112.199 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.93 -32.45 23.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.252 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.588 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -83.25 170.39 14.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.374 -178.773 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -80.58 70.41 7.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.516 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -97.7 120.8 47.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.19 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -147.79 122.18 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 m -114.91 140.96 48.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -146.76 137.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.542 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -132.21 -171.38 2.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.724 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -130.93 46.46 2.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.96 172.26 1.82 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 111.808 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.63 136.24 51.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.062 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 pt -57.85 145.53 8.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.005 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -122.2 139.34 53.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.885 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 96' ' ' LYS . 17.3 pttm -82.62 87.98 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.42 0.628 . . . . 0.0 110.604 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -158.05 144.4 17.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.044 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -81.56 90.38 6.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.225 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.76 64.0 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.256 0.55 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -77.64 127.94 33.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -83.41 82.45 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.345 0.593 . . . . 0.0 110.251 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.9 tp -130.46 128.97 64.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.802 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -140.0 119.16 12.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.288 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -81.42 -12.18 59.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.732 0.777 . . . . 0.0 108.945 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.176 -179.87 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.06 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -85.65 154.55 21.6 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -67.39 134.76 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.109 0.481 . . . . 0.0 111.17 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.9 ttt -114.08 140.46 48.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.854 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -83.91 125.53 32.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.42 -36.6 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -158.91 174.93 14.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.842 0.353 . . . . 0.0 111.332 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -144.99 172.54 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.301 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -100.51 -57.53 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.91 156.57 17.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.762 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -153.7 157.8 40.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.856 0.36 . . . . 0.0 110.647 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -140.47 131.99 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -136.01 130.06 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.1 mt -130.13 97.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 110.091 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.81 80.97 2.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.42 25.61 11.03 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.216 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.83 127.51 53.47 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.721 -0.282 . . . . 0.0 110.869 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm 60.21 41.03 17.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.472 0.482 . . . . 0.0 111.528 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.79 -165.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.21 -88.43 0.2 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.7 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.667 ' HB3' HG23 ' A' ' 55' ' ' ILE . 48.0 tp -174.06 89.52 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.8 0.333 . . . . 0.0 110.309 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -100.12 103.93 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD12 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -126.25 152.57 45.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.985 0.422 . . . . 0.0 110.963 -179.569 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -148.8 133.27 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.138 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.6 tp -127.6 148.77 50.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.18 75.91 1.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.158 0.286 . . . . 0.0 110.575 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 35.9 t0 -156.35 159.59 38.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.533 0.206 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.36 152.15 41.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.989 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.0 m 65.26 20.06 11.82 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.953 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.9 m -120.54 177.43 5.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.867 0.365 . . . . 0.0 110.524 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -101.48 115.81 31.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.577 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -109.62 24.85 12.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -177.129 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HG3' HD22 ' A' ' 34' ' ' LEU . 4.2 pt-20 -60.98 -22.17 64.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.527 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 33' ' ' GLU . 3.5 mm? -67.02 -35.43 79.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.162 0.506 . . . . 0.0 109.724 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD11 HD12 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -77.05 -46.53 23.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.71 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -57.68 -40.08 78.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.363 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.43 91.06 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.323 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.8 mm? -70.61 -29.96 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.333 . . . . 0.0 110.347 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -49.85 76.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -74.33 -36.33 63.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.385 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -65.06 -51.94 58.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.52 -37.45 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 p -61.28 -40.31 93.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.38 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.2 mt -79.11 -29.86 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.89 -59.5 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.453 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.91 116.82 7.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -136.81 23.37 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.466 0.65 . . . . 0.0 109.585 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.18 112.18 23.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.696 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -127.63 145.96 50.71 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.99 -28.77 36.4 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.279 -0.486 . . . . 0.0 111.912 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -77.92 -56.82 4.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.336 0.589 . . . . 0.0 109.977 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.68 93.51 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 103.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.411 0.624 . . . . 0.0 111.81 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -91.77 104.0 16.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.419 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.667 HG23 ' HB3' ' A' ' 21' ' ' LEU . 24.1 mt -103.2 86.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.308 0.575 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -105.99 105.25 15.2 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.043 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 23' ' ' LEU . 15.5 t -102.58 86.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.449 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -109.3 100.54 9.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.162 0.506 . . . . 0.0 110.446 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.48 93.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 3.9 mtpm? -81.46 89.96 6.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 23.6 mt -92.2 -84.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.85 -78.53 0.33 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -123.5 9.81 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.577 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -68.8 -28.84 67.12 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.912 -179.448 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 t80 60.21 88.33 0.08 Allowed 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.788 0.68 . . . . 0.0 110.907 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 tp -73.45 144.98 46.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -82.06 85.71 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -54.72 -36.49 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -58.74 -27.67 65.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 20.8 mt-30 -78.58 -48.89 14.27 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.562 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 21.1 mm-40 -65.73 -30.75 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.28 -46.7 79.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.184 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 17.6 pt20 -62.43 -31.75 72.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -90.37 -34.1 15.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.444 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.9 m -65.45 -31.2 72.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.756 0.312 . . . . 0.0 110.389 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.49 -20.98 59.39 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.075 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.73 -37.69 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.079 0.466 . . . . 0.0 110.695 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.69 -25.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.001 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.58 62.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.512 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -16.5 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.655 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -147.71 43.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 110.29 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -77.76 46.67 0.57 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.407 0.622 . . . . 0.0 111.981 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.659 0.742 . . . . 0.0 109.21 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.662 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -69.03 174.27 4.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.289 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.19 70.73 10.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 8.4 p -98.82 132.91 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.918 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -147.53 98.98 3.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.807 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -102.24 134.74 45.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tt -160.52 124.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.228 0.537 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -114.41 176.88 4.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.765 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 60' ' ' LYS . 6.8 m -112.62 99.42 7.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.792 0.329 . . . . 0.0 110.561 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.91 -170.93 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.551 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.83 122.57 54.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 pt -68.54 102.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.331 0.586 . . . . 0.0 111.58 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -158.79 130.46 6.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.912 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -168.13 175.08 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.65 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -138.15 172.16 13.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.682 0.277 . . . . 0.0 110.552 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.1 34.38 0.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.317 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.83 50.89 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.058 0.456 . . . . 0.0 110.448 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -82.24 121.43 26.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.154 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -70.49 89.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.289 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.4 tp -150.59 139.81 15.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.977 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -158.14 92.48 1.17 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.252 0.549 . . . . 0.0 110.081 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.37 67.78 9.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.404 0.621 . . . . 0.0 110.618 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 118.142 -0.932 . . . . 0.0 109.629 179.508 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.076 -0.409 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 52.79 52.63 13.58 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.81 0.444 . . . . 0.0 111.649 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -133.55 -179.07 5.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.8 ptm -58.28 144.25 41.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.144 0.497 . . . . 0.0 111.604 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -99.23 166.16 11.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.505 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.83 179.15 4.42 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.357 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -76.23 168.79 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.542 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -156.41 160.12 39.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.187 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.38 -46.59 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.033 0.444 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -99.92 117.28 33.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.109 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -151.55 -171.88 4.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.729 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.74 129.27 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -151.27 139.92 20.7 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.576 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.45 121.57 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.94 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.153 0.501 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.01 48.33 0.59 Allowed Glycine 0 CA--C 1.507 -0.451 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 p -104.17 -70.97 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.68 28.03 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.972 0.415 . . . . 0.0 111.347 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -153.82 -152.4 0.41 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.44 -96.94 0.9 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.266 -0.969 . . . . 0.0 111.754 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.634 ' HB3' HG23 ' A' ' 55' ' ' ILE . 23.1 tp -152.64 98.63 2.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.074 0.464 . . . . 0.0 110.192 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -118.43 112.94 20.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.956 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -138.36 150.37 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 -178.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -141.52 108.62 5.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.112 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -107.12 128.67 54.6 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.45 106.56 9.28 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.944 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -163.23 -160.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -153.94 131.65 11.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.377 -0.202 . . . . 0.0 110.776 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 m 65.73 15.7 10.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.646 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -97.61 143.78 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.766 0.317 . . . . 0.0 110.235 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.67 149.6 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.507 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 5.9 m-20 -77.81 24.41 0.22 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.622 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.11 -36.91 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.7 mt -96.72 9.94 40.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.966 0.412 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.586 HD12 HD23 ' A' ' 25' ' ' LEU . 3.8 tt -113.68 -55.48 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 31.2 t0 -58.75 -35.87 73.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.546 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.13 -38.11 60.41 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.781 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.58 -35.88 13.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.338 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 36' ' ' ASP . 5.0 tt0 -55.79 -56.6 18.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.65 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 24.2 t-20 -61.92 -46.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.3 ttm -57.35 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.424 -178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.88 -37.15 86.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.9 m -60.63 -27.97 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.998 0.428 . . . . 0.0 111.577 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 40' ' ' ASN . 3.6 mt -109.66 22.54 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.627 0.727 . . . . 0.0 109.819 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -124.03 -61.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.171 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.39 108.38 4.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.93 25.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.257 0.551 . . . . 0.0 110.183 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.46 88.63 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -47.62 11.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.03 -30.9 6.81 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.013 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.582 ' HE3' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -93.38 -37.98 11.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.889 0.344 . . . . 0.0 110.532 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.44 74.28 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.918 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -69.69 123.19 20.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.39 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -106.32 127.23 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 21' ' ' LEU . 60.7 mt -117.06 91.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 m -125.51 117.13 22.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.032 0.444 . . . . 0.0 111.137 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -100.82 101.99 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.351 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.11 86.17 3.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.299 0.571 . . . . 0.0 109.747 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.49 93.52 3.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.993 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -98.0 61.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.516 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' ALA . 96.6 mt -99.95 -2.08 35.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.327 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.9 -123.97 31.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.041 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.78 59.5 3.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.451 0.643 . . . . 0.0 110.777 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HD2' ' OD1' ' A' ' 32' ' ' ASP . 14.9 ptt180 -63.53 -20.42 65.6 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.344 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 57.39 41.26 26.62 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.736 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' OD1' ' A' ' 32' ' ' ASP . 2.2 tp -102.72 152.4 21.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.27 98.26 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.214 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -35.85 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.88 -28.34 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.236 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -65.16 -41.61 94.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.198 0.523 . . . . 0.0 109.797 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 23.3 mt-10 -69.63 -37.22 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.602 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -62.32 -48.48 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.685 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -59.94 -29.89 68.7 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.6 pp -87.43 -33.06 19.2 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -68.81 -32.28 71.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 36.8 mm-40 -58.23 -23.42 55.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.0 -33.86 76.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.316 0.579 . . . . 0.0 110.009 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.24 -16.7 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.313 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -63.69 -18.46 64.02 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.867 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -74.12 -27.14 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.189 0.518 . . . . 0.0 110.042 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -121.03 40.84 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.162 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 16.0 pttm -77.75 53.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.652 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -82.26 -22.66 35.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 109.563 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.04 170.09 16.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.206 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.08 80.64 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 110.927 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -100.42 124.9 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.553 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -147.75 104.82 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.35 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m -117.18 127.75 54.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.298 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 tt -148.25 124.8 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.288 0.566 . . . . 0.0 110.706 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.47 160.84 16.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -88.65 58.56 4.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.61 151.47 44.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.78 111.27 34.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 0.0 109.92 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.4 tt -101.31 -4.04 9.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.178 0.513 . . . . 0.0 111.604 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.8 4.01 35.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.97 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -128.24 88.52 2.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.103 0.478 . . . . 0.0 110.741 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -98.52 137.38 37.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.833 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -88.0 95.36 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.393 . . . . 0.0 110.49 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.83 -0.19 46.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.16 143.62 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.308 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -89.48 74.73 7.68 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.798 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.2 tp -92.88 132.03 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.024 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -133.13 74.78 1.58 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.29 36.16 1.94 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.082 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.026 -179.275 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 112.19 -0.364 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -63.16 127.43 31.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.968 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -145.88 125.64 13.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.083 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.4 ttm -79.16 134.66 36.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.451 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -124.64 164.58 19.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.34 -161.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.565 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -73.85 158.61 34.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 0.0 110.635 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 9.2 pttt -98.71 140.32 33.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.563 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -87.32 -60.8 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.022 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -129.27 105.18 7.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -108.79 138.67 44.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 p -137.29 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.936 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -150.69 144.75 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.212 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.2 mt -136.33 99.58 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.123 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.4 83.45 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.443 . . . . 0.0 110.383 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -127.32 88.34 0.34 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.615 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -162.29 -63.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 110.606 -179.548 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 17' ' ' THR . 31.9 mmtm -121.84 52.99 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -172.07 -166.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.822 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -89.81 0.64 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.047 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB3' HG23 ' A' ' 55' ' ' ILE . 14.8 tp -160.1 89.07 0.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.506 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.46 96.63 6.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -119.13 146.98 44.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -142.58 125.94 16.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.264 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -125.96 121.92 34.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.47 69.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -139.18 133.82 31.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.086 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.69 159.1 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.59 0.233 . . . . 0.0 111.277 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m 56.42 49.53 14.8 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.912 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -162.39 -171.72 2.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -130.56 166.79 19.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -173.53 96.95 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.79 6.56 38.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.84 -38.32 12.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.93 -53.78 54.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.621 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.69 -32.77 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.944 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.54 -49.2 75.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.593 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.0 -41.89 81.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.199 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.86 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.298 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -68.01 -39.94 83.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.407 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.7 mmm -65.94 -48.93 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.894 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.498 HD13 ' HA3' ' A' ' 16' ' ' GLY . 53.4 mt -57.39 -42.83 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -61.17 -36.36 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 111.075 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -80.71 -28.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.001 0.429 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.33 -71.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.42 101.25 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.88 -5.16 38.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 109.696 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.56 103.98 16.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.811 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -107.6 -172.5 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.886 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.2 27.23 7.83 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.242 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -55.34 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.394 . . . . 0.0 110.753 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.08 91.54 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 4.1 pm0 -54.52 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.755 0.788 . . . . 0.0 112.743 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -91.04 91.57 8.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.163 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.578 HG23 ' HB3' ' A' ' 21' ' ' LEU . 32.3 mt -91.93 64.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -108.91 96.86 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.532 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.1 96.99 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -110.22 96.63 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.571 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.59 149.48 13.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.264 0.554 . . . . 0.0 111.068 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' OG ' ' A' ' 91' ' ' SER . 3.8 ttmt -120.43 68.63 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 64' ' ' ARG . 19.5 mt -85.07 -29.32 25.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.205 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.581 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 68.21 -101.31 0.73 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.905 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -109.18 17.61 21.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.106 0.479 . . . . 0.0 110.264 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.7 ttt180 -60.19 -33.75 72.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.441 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.2 t80 61.73 85.23 0.12 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.482 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.72 158.69 15.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.314 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -75.68 75.16 2.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.177 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -54.25 -30.3 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.016 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.08 -41.07 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.8 mm100 -68.73 -44.14 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 mt-10 -65.61 -41.56 92.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.12 -46.34 84.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.534 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.1 pt20 -64.3 -32.2 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.5 pp -83.83 -31.2 25.95 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.93 -0.481 . . . . 0.0 110.756 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -67.72 -30.97 70.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.48 -30.14 39.54 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.27 -36.91 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.23 -18.36 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -62.29 -34.66 77.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.399 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -68.91 -17.32 63.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.283 0.563 . . . . 0.0 111.21 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -134.14 41.2 2.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.579 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -75.58 55.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.481 -179.159 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.43 -16.97 37.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.456 HD22 ' H ' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -79.62 172.26 14.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.43 179.551 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -83.87 74.12 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -97.56 137.41 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -159.19 88.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.607 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.71 130.92 39.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -157.81 149.19 9.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 111.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -130.19 152.69 49.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.581 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 2.1 m -84.48 53.78 2.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.047 0.451 . . . . 0.0 109.96 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -45.93 133.95 8.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.891 -1.049 . . . . 0.0 112.712 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.3 p -68.81 158.18 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.258 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.6 pt -68.55 159.2 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.658 0.266 . . . . 0.0 110.663 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m 60.61 54.69 3.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.673 0.749 . . . . 0.0 110.707 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -131.23 101.1 5.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.382 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -123.84 134.45 53.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.994 0.426 . . . . 0.0 111.146 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -88.85 60.98 5.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.124 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.41 84.67 2.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.676 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -137.85 154.19 49.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.298 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -80.07 96.33 6.45 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.8 tt -155.32 144.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.16 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -150.65 142.35 23.67 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.79 9.8 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.115 0.483 . . . . 0.0 110.874 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.074 -0.41 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -95.86 -179.3 4.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.09 0.472 . . . . 0.0 110.488 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -154.06 130.41 10.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -65.18 113.7 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.73 146.61 52.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.58 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -81.68 -153.07 0.1 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.246 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' H ' HG22 ' A' ' 6' ' ' THR . 12.1 ptmt -59.92 144.82 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 111.461 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.92 146.02 38.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.33 -38.51 5.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -127.67 106.63 9.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.033 0.444 . . . . 0.0 111.029 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -129.78 158.66 38.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.22 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.08 142.12 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 t -155.46 142.62 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -132.97 135.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.069 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -129.79 93.05 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.316 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.583 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -138.04 72.94 0.43 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.796 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -142.98 -70.27 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.866 0.365 . . . . 0.0 110.194 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.52 ' H ' HG23 ' A' ' 17' ' ' THR . 13.6 ttpp -101.99 27.88 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 109.128 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.84 -171.74 4.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.802 -178.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -104.76 0.18 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.566 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.677 ' HB3' HG23 ' A' ' 55' ' ' ILE . 45.8 tp -144.87 86.67 1.8 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.202 0.525 . . . . 0.0 110.5 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 HG23 ' OG ' ' A' ' 56' ' ' SER . 7.2 m -105.65 111.72 24.51 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.084 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.32 142.44 50.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.064 0.459 . . . . 0.0 110.637 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -131.13 121.17 24.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.781 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD13 ' H ' ' A' ' 27' ' ' ASP . 1.7 tm? -129.25 120.76 26.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.15 38.47 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 110.617 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.582 ' H ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.2 123.58 47.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.406 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.11 133.31 45.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.934 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.6 m 56.74 42.3 26.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.683 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -125.32 179.35 5.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.711 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -80.14 107.26 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.442 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -86.78 -2.22 58.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.667 -179.223 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.0 -39.89 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.829 0.347 . . . . 0.0 111.255 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.66 -18.37 65.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.267 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tp -92.56 -52.15 4.78 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.184 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -40.19 78.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.598 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.18 -55.27 25.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.505 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.62 -37.6 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.638 0.256 . . . . 0.0 110.493 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.24 -55.44 31.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.809 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.1 -42.1 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.089 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.3 tpp -59.09 -57.08 14.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.205 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.583 HD13 ' HA3' ' A' ' 16' ' ' GLY . 63.0 mt -65.25 -28.44 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -64.95 -14.51 60.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.714 0.292 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -118.21 -35.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 110.281 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.14 -52.13 60.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.637 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.4 106.7 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.563 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -138.26 24.75 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.279 0.561 . . . . 0.0 110.398 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -132.78 93.6 3.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -88.61 -40.35 13.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.25 61.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.112 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.73 26.6 15.71 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.666 0.387 . . . . 0.0 111.981 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.31 30.8 1.44 Allowed Glycine 0 CA--C 1.507 -0.456 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.351 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.18 17.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.926 0.393 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -98.69 113.31 25.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' A' ' 21' ' ' LEU . 45.0 mt -107.84 75.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.508 0.671 . . . . 0.0 109.352 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.402 ' OG ' HG23 ' A' ' 22' ' ' THR . 11.2 p -98.21 104.56 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.043 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.65 94.27 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.716 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -96.62 78.71 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.499 . . . . 0.0 110.252 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -93.62 91.3 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.984 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -95.57 62.26 2.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 32' ' ' ASP . 17.1 mt -75.04 -9.59 58.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.092 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.458 ' H ' ' HB2' ' A' ' 91' ' ' SER . . . 63.96 -135.9 40.67 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.472 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -86.65 34.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -31.47 72.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 t80 62.42 84.81 0.13 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.89 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.6 tp -115.3 158.92 21.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.431 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -74.01 81.53 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.0 110.282 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -54.37 -41.58 69.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.934 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.46 -42.81 88.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.596 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 16.7 mt-30 -68.81 -33.39 73.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.583 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.39 -29.75 42.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.54 0.686 . . . . 0.0 109.782 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 19.6 tt0 -75.09 -40.92 59.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.056 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.9 pt20 -56.39 -39.08 72.38 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.98 -31.22 62.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.282 0.563 . . . . 0.0 109.508 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.5 m -71.32 -28.8 64.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 49.4 mt-10 -55.97 -26.55 48.71 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.39 -42.56 91.99 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -91.17 -30.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.002 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -62.76 -32.48 73.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.4 m -66.4 -14.57 62.34 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.32 45.57 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -72.56 58.46 0.42 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.506 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -82.04 -10.8 59.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.381 0.61 . . . . 0.0 110.178 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.31 171.19 9.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.546 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -80.99 75.64 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.407 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.34 130.76 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -143.8 101.59 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -98.27 130.17 44.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 tt -141.13 118.74 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.227 0.537 . . . . 0.0 110.828 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.419 ' HA ' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -101.52 175.95 5.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.968 179.541 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.458 ' HB2' ' H ' ' A' ' 62' ' ' GLY . 74.8 m -109.47 43.63 1.28 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.593 0.235 . . . . 0.0 111.159 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -62.99 132.12 50.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 95' ' ' THR . 8.2 p -111.12 149.14 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.185 -178.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 13.1 pt -89.86 5.07 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.656 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 93' ' ' VAL . 5.1 m -78.18 86.01 4.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.262 0.553 . . . . 0.0 110.034 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -125.89 145.52 50.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.137 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -104.37 157.25 17.28 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -66.05 132.0 47.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.968 0.414 . . . . 0.0 110.513 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.29 66.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.221 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -73.62 129.9 38.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.897 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -83.17 89.6 6.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.215 0.531 . . . . 0.0 110.642 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.0 tt -141.17 114.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.231 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.487 ' HD2' ' OE2' ' A' ' 105' ' ' GLU . 13.6 mmt180 -128.05 112.92 15.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -84.09 37.86 0.63 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.462 0.649 . . . . 0.0 109.937 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.487 ' OE2' ' HD2' ' A' ' 103' ' ' ARG . 38.8 mt-10 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.949 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -116.35 -179.7 3.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.887 0.375 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -160.16 118.76 2.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.9 mtt -97.73 173.63 7.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.92 0.39 . . . . 0.0 111.261 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -93.02 114.19 26.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.876 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -52.03 7.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.211 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -123.31 156.12 35.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.741 0.305 . . . . 0.0 110.791 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 152.84 33.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.944 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -93.45 -59.06 2.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.634 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -108.22 133.32 52.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.535 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -140.03 136.01 33.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.83 139.52 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.914 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 24' ' ' HIS . 1.7 t -157.85 127.48 5.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.386 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mt -127.41 142.21 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.722 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -148.75 161.13 42.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.568 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.75 -37.02 0.18 Allowed Glycine 0 C--O 1.223 -0.538 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.119 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -53.52 -18.64 2.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.62 32.35 5.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.116 -0.365 . . . . 0.0 111.223 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.444 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 8.4 t-20 -177.72 -141.85 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.157 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.01 -74.55 1.12 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' ILE . 18.5 tp -157.74 109.99 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.842 0.353 . . . . 0.0 110.096 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.68 100.76 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.54 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 23' ' ' LEU . 1.9 pt? -129.14 137.84 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 111.27 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.466 ' HB3' HG23 ' A' ' 13' ' ' THR . 11.6 t60 -138.95 124.98 19.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.567 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -131.89 128.13 37.93 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.654 0.264 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -116.64 105.38 12.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.123 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.8 t70 -165.8 -168.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.65 137.32 7.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.62 0.248 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.6 m 66.04 11.18 7.58 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.173 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -103.51 157.15 17.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.871 0.367 . . . . 0.0 110.751 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -81.93 139.29 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.7 p30 -99.1 19.56 15.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.473 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 34' ' ' LEU . 6.3 pt-20 -59.29 -38.58 80.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 110.862 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 tp -68.5 -22.81 64.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.38 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 tp -85.06 -41.67 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.16 -38.24 82.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.544 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.34 49.96 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.03 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.4 mm? -76.3 -40.96 50.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.499 ' HG3' HD21 ' A' ' 21' ' ' LEU . 22.5 tt0 -55.65 -48.95 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.42 HD21 HD22 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -67.5 -48.41 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.159 -179.537 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.0 ttt -59.72 -55.66 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.47 -44.95 89.51 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.2 m -59.01 -29.61 67.38 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mt -96.91 -26.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.069 0.461 . . . . 0.0 111.034 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.37 -59.31 2.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.911 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -149.91 91.43 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.981 0.419 . . . . 0.0 111.359 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -101.38 -7.21 23.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.383 0.611 . . . . 0.0 110.015 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.85 126.2 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.138 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' OD1' ' HA ' ' A' ' 19' ' ' ASN . 16.2 t70 -104.6 -54.1 2.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.03 0.443 . . . . 0.0 110.012 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.3 -28.61 11.45 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.422 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -47.88 3.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.79 79.88 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.385 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -66.94 120.11 13.05 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.327 0.584 . . . . 0.0 111.292 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -110.96 132.9 53.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.969 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 21' ' ' LEU . 39.8 mt -112.77 76.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -96.64 109.09 21.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.535 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' A' ' 88' ' ' SER . 12.7 t -101.65 97.14 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -109.39 100.79 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.335 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.52 118.59 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.931 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -105.02 34.07 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 110.52 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 90.8 mt -70.76 -27.98 64.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.473 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.616 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 76.33 -83.29 0.99 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.132 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -106.8 52.23 0.72 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.0 111.336 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 13.7 ptt180 -68.46 -26.84 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.3 t80 55.73 39.3 30.8 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.627 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.6 tp -87.02 142.7 27.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.05 106.07 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -21.15 63.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.405 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.74 -35.18 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 4.3 mm100 -66.97 -41.06 87.49 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 13.1 mm-40 -74.58 -38.7 62.58 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -52.66 64.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.225 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.6 pp0? -56.39 -32.39 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.8 pp -88.26 -31.5 18.99 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -69.14 -29.05 67.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.797 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 72' ' ' GLU . 95.5 mt-10 -51.03 -34.24 28.66 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.807 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.4 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.27 -30.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.999 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.13 71.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.741 0.305 . . . . 0.0 111.666 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 m -70.42 -5.46 28.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -154.23 46.9 0.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -79.33 61.23 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.49 0.662 . . . . 0.0 112.129 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.324 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -74.98 160.49 30.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.794 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.31 78.93 4.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.483 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.99 143.6 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.161 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -159.46 97.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.432 ' HA ' ' HB ' ' A' ' 57' ' ' VAL . 1.4 m -105.29 125.47 51.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.253 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.9 tt -154.91 132.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.433 0.635 . . . . 0.0 111.754 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.99 143.9 51.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.616 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.6 m -71.4 83.56 0.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.2 141.13 30.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.263 0.554 . . . . 0.0 110.558 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.78 -14.35 7.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.572 0.701 . . . . 0.0 109.32 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.9 tp -165.33 138.57 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.188 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.8 m -83.92 -37.72 21.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -140.16 122.89 16.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.575 0.226 . . . . 0.0 110.915 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -149.29 118.02 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -86.21 85.14 7.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.144 0.497 . . . . 0.0 111.243 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.86 95.22 5.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.167 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -76.01 118.35 18.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.973 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -66.93 108.13 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 0.0 110.441 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.0 tp -145.0 135.71 19.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.817 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -123.21 140.85 52.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.919 0.39 . . . . 0.0 110.193 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.62 14.42 23.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.852 0.834 . . . . 0.0 109.473 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--O 1.247 0.969 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.182 -179.125 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.35 120.83 15.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.341 . . . . 0.0 110.681 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -157.13 165.82 34.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.748 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -76.47 149.74 36.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -93.93 124.54 38.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.377 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -170.82 3.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.635 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -64.33 154.88 34.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.421 . . . . 0.0 111.639 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.82 163.1 38.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.899 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -100.21 -57.71 2.07 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.136 0.493 . . . . 0.0 110.602 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -88.84 117.24 27.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.136 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -159.6 171.05 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -149.41 151.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.417 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -149.76 140.11 22.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -132.84 110.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.334 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -106.94 94.11 4.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -136.65 70.04 0.5 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -144.82 122.39 11.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.712 0.292 . . . . 0.0 110.952 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 56.63 29.0 14.9 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.444 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 49' ' ' ASP . 4.6 t-20 -159.6 -148.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -90.68 -115.22 1.77 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.961 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HB3' HG23 ' A' ' 55' ' ' ILE . 49.9 tp -153.57 96.83 2.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.207 0.527 . . . . 0.0 110.297 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -112.95 99.64 8.03 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.541 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.6 pt? -130.68 154.39 47.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.56 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -154.35 128.69 9.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.275 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 tp -114.93 140.18 49.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.706 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.67 83.55 2.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.171 0.51 . . . . 0.0 109.662 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.74 126.39 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.385 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.62 150.43 23.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.524 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.8 m 73.26 -2.85 2.61 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.432 0.693 . . . . 0.0 112.79 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -110.05 150.39 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.214 -0.304 . . . . 0.0 110.472 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -88.11 136.41 32.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.693 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 11.7 p-10 -89.56 51.93 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.387 0.613 . . . . 0.0 111.189 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.29 -24.12 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.586 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.16 -1.77 56.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.105 0.478 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 7.2 tp -101.91 -48.98 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.168 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -36.7 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 41' ' ' MET . . . -61.59 -48.31 85.34 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.186 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.9 -40.82 83.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.0 110.296 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -51.58 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.567 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.73 -40.35 66.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.481 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 2.6 tmm? -59.78 -51.96 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.269 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 16' ' ' GLY . 90.2 mt -66.58 -37.62 85.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -68.17 -14.14 62.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.934 0.397 . . . . 0.0 111.886 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -105.94 -34.51 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.017 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.69 -69.47 0.46 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.53 116.43 5.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.056 0.455 . . . . 0.0 111.063 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.79 8.8 4.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.288 0.566 . . . . 0.0 109.722 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.497 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 3.2 m -100.21 89.96 4.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' HA ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -72.87 -43.64 62.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.135 179.543 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.41 -8.14 32.56 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.806 -0.712 . . . . 0.0 114.088 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 2.9 mppt? -135.68 25.68 3.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.157 0.978 . . . . 0.0 112.041 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.76 83.9 1.75 Allowed Glycine 0 C--N 1.315 -0.597 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' NE2' ' HA ' ' A' ' 48' ' ' THR . 1.5 pm0 -77.55 139.22 39.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.045 0.45 . . . . 0.0 111.24 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 85.9 tttt -104.89 107.54 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.677 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.659 HG23 ' HB3' ' A' ' 21' ' ' LEU . 10.0 mt -107.13 64.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.29 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -95.62 100.36 12.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.156 0.503 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 88' ' ' SER . 49.1 t -88.4 97.57 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.389 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 64.3 m170 -99.82 92.22 5.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -95.79 80.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.467 0.651 . . . . 0.0 110.587 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -85.36 69.69 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.121 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.2 -79.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.1 0.476 . . . . 0.0 110.312 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.77 -105.2 0.34 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.113 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -100.72 25.58 7.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.845 0.355 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -72.08 -33.15 67.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 57.22 62.42 2.2 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.809 0.693 . . . . 0.0 110.2 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.54 156.19 37.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.014 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -72.93 86.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.098 0.475 . . . . 0.0 110.453 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -45.57 71.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.798 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -54.23 -37.09 64.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.671 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.598 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 36.2 mt-30 -66.43 -45.62 79.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.855 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.0 mm-40 -73.27 -33.32 65.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.181 0.515 . . . . 0.0 109.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -65.28 -48.69 72.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.3 pp0? -58.16 -32.78 68.52 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.6 pp -82.64 -32.72 28.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.317 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -73.65 -27.75 61.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.289 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -49.18 -36.97 21.07 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.978 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.75 -52.18 66.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.116 0.484 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mp -75.88 -30.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.964 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.71 -24.27 65.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.98 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.7 m -65.81 -30.31 70.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 0.0 110.754 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -137.26 48.52 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -72.21 78.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.68 -3.98 57.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.852 0.834 . . . . 0.0 109.336 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.19 172.07 8.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.034 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 77.6 m-85 -85.99 67.64 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -99.62 124.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.289 0.566 . . . . 0.0 111.552 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -155.26 126.1 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.269 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 11.0 m -117.58 140.78 49.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.663 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.1 tt -147.5 135.86 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -111.66 -171.85 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.8 m -128.0 56.69 1.58 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.089 -0.382 . . . . 0.0 111.616 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.02 170.9 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.196 0.522 . . . . 0.0 111.158 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.6 p -121.63 -20.62 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.6 tt -148.97 122.05 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.081 0.467 . . . . 0.0 110.315 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -89.35 105.26 17.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -155.88 148.12 23.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.818 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -148.81 127.48 12.47 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -71.38 92.78 1.09 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.998 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.21 67.0 9.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.628 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -87.54 145.86 26.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.954 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -78.07 82.38 4.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.082 0.468 . . . . 0.0 111.275 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.8 tt -135.34 106.18 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.31 123.72 50.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.523 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HG2' ' HG2' ' A' ' 105' ' ' GLU . 7.2 pm0 -81.5 -21.35 38.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.27 0.557 . . . . 0.0 109.574 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.453 ' HG2' ' HG2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.835 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m 58.19 65.12 1.34 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.211 0.529 . . . . 0.0 111.205 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -133.94 151.35 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.55 149.36 27.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.776 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -108.46 115.66 30.52 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.08 169.14 12.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.58 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -63.7 150.93 43.26 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -146.27 166.1 27.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.492 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -97.34 -25.97 15.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.653 0.264 . . . . 0.0 110.62 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.8 141.82 23.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.412 ' HB2' ' HE3' ' A' ' 8' ' ' LYS . 3.4 t80 -153.45 153.48 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.505 0.193 . . . . 0.0 110.638 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.83 137.07 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.003 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 t -155.49 141.82 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mt -136.57 121.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.1 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.02 100.35 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.45 29.61 4.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.211 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 t -121.57 139.53 53.39 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mttt 56.28 34.41 23.99 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -175.13 -139.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.229 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.558 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -104.11 -101.21 2.65 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.934 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 39' ' ' GLN . 61.8 tp -160.08 97.41 1.26 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.082 0.467 . . . . 0.0 110.694 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -111.48 114.84 28.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.682 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -133.87 149.6 51.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.401 -179.697 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 12.5 t-160 -158.6 126.52 5.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.563 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.8 tp -126.95 131.99 50.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -112.45 81.18 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.89 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -151.19 123.7 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.15 142.61 27.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.3 m 56.27 66.82 1.1 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.728 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 172.68 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -112.01 100.8 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.4 0.619 . . . . 0.0 109.468 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.29 45.05 0.82 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.503 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -58.21 -36.42 73.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.361 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.94 -33.46 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' HG ' HD12 ' A' ' 23' ' ' LEU . 11.0 tp -70.68 -47.92 57.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.97 -40.03 96.48 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.44 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.87 -48.1 87.74 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.783 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.28 -36.86 85.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.046 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -57.76 -48.04 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.237 179.119 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -67.98 -45.67 73.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ttt -57.46 -55.51 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.97 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.69 -37.92 85.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 t -60.95 -35.61 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.079 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.56 -35.62 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.1 -68.02 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.174 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.57 129.47 6.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 0.0 111.606 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -132.83 12.15 4.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.611 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.44 88.33 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.662 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.4 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -36.2 2.27 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.79 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 28.74 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.224 0.535 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.83 114.81 3.77 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.879 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.558 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 1.6 pm0 -104.1 147.19 27.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.233 0.54 . . . . 0.0 111.322 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -103.7 104.62 14.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.115 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 18.3 mt -102.32 67.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.798 0.809 . . . . 0.0 108.902 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 m -98.28 99.83 11.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.665 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 88' ' ' SER . 18.8 t -86.84 91.07 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.547 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 13.4 m-70 -97.03 81.83 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.873 0.368 . . . . 0.0 111.338 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.12 73.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.662 0.744 . . . . 0.0 109.964 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.452 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.8 mtpt -79.73 59.44 3.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.561 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.2 mp -80.38 -78.09 0.18 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 119.73 95.86 1.6 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.245 -0.979 . . . . 0.0 112.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 61.96 47.03 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.448 0.642 . . . . 0.0 110.357 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' NH1' HD22 ' A' ' 66' ' ' LEU . 20.9 ptt180 -83.34 -32.64 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.0 t80 52.95 61.95 2.93 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.685 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD22 ' NH1' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -89.31 -169.28 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.166 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.62 80.95 8.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.272 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -59.47 -32.22 70.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -58.87 -43.7 90.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.411 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 61.1 mt-30 -66.58 -41.09 89.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 35.1 mt-10 -63.4 -49.94 71.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.642 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.2 -44.74 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp0? -59.87 -38.7 82.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -33.86 58.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.926 0.393 . . . . 0.0 110.128 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -68.49 -32.52 72.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.787 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.94 -34.16 69.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.485 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.33 -29.28 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 110.947 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.5 mt -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.27 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -12.38 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.365 0.602 . . . . 0.0 110.422 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -149.12 45.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.951 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.65 59.52 0.46 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.348 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.15 -11.96 51.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.67 0.747 . . . . 0.0 109.397 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -84.0 170.05 14.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.156 179.707 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -89.49 72.72 7.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.345 0.593 . . . . 0.0 110.259 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.7 p -98.79 136.12 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.624 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.23 109.95 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -101.27 150.12 23.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 179.529 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.0 tt -150.71 129.81 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.82 171.83 7.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.42 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.497 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 50.8 m -124.74 33.03 5.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.322 0.582 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -81.7 149.19 28.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.507 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.33 -10.84 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.263 0.554 . . . . 0.0 110.744 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.6 mt -72.14 112.4 7.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.745 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.7 t -102.26 -6.21 23.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.281 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -81.83 172.14 13.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.353 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -138.72 141.34 38.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.551 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -90.89 105.69 18.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.041 0.448 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.37 59.19 5.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -106.45 136.57 45.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.068 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -88.55 78.34 7.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.383 0.611 . . . . 0.0 110.376 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 tt -114.53 108.49 25.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.261 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.25 121.43 14.81 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.854 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -95.22 13.23 26.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.346 0.593 . . . . 0.0 110.068 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.842 -179.813 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.42 121.22 28.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.051 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -115.32 129.79 56.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.679 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.3 ptm -86.04 165.23 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.088 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -89.62 89.38 7.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.792 0.33 . . . . 0.0 110.505 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.52 -170.26 2.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -76.34 162.44 27.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HG3' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -148.97 175.23 11.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 -179.075 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -92.15 -67.54 0.85 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -124.47 141.53 52.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.742 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' HB2' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -168.66 167.21 11.48 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 111.504 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.08 135.6 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.83 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -148.29 135.52 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.74 133.22 69.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -135.85 106.58 6.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.118 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.665 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -146.09 67.84 0.4 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.374 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -148.55 125.23 11.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 58.55 33.51 23.16 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.25 -159.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.851 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -97.99 0.92 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.919 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.823 ' HB3' HG23 ' A' ' 55' ' ' ILE . 43.8 tp -164.37 104.57 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.359 . . . . 0.0 110.124 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -122.4 115.1 21.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.097 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.437 HD21 ' HG2' ' A' ' 39' ' ' GLN . 2.8 pp -149.81 166.26 30.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.914 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.561 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 16.5 p80 -162.61 137.77 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.457 178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -124.64 120.97 33.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.93 83.73 1.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.776 0.322 . . . . 0.0 110.732 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -163.28 124.77 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.532 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.76 157.82 17.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.88 0.372 . . . . 0.0 111.803 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.0 m 58.5 56.4 4.34 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.982 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.74 167.78 26.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.13 111.75 23.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.048 0.451 . . . . 0.0 110.041 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.45 45.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.534 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -63.33 -44.68 94.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.67 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.44 -35.24 79.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.392 . . . . 0.0 110.461 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 19.9 tp -63.41 -47.88 80.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.761 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -39.56 81.83 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.708 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.26 97.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.773 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.29 -42.88 92.67 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 89.7 mt-30 -54.12 -50.57 66.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.628 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -64.47 -54.05 38.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.668 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 ttm -55.29 -50.02 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.665 HD13 ' HA3' ' A' ' 16' ' ' GLY . 95.1 mt -61.88 -41.61 98.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 m -62.94 -37.69 88.06 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.514 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.48 -21.76 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.322 0.582 . . . . 0.0 110.45 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.98 -51.73 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.78 155.76 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -153.61 -31.64 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.08 90.59 7.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.674 0.273 . . . . 0.0 110.506 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -66.93 -52.37 43.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.86 -11.24 7.85 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.557 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -151.73 28.82 0.61 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.157 0.979 . . . . 0.0 112.255 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.7 92.96 2.14 Favored Glycine 0 C--N 1.319 -0.361 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.213 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -80.8 137.4 36.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.414 0.626 . . . . 0.0 111.8 -179.068 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 81.1 tttt -108.52 112.55 24.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.547 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.823 HG23 ' HB3' ' A' ' 21' ' ' LEU . 17.7 mt -107.93 63.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.714 0.768 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -89.02 92.47 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 88' ' ' SER . 47.1 t -86.39 93.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.635 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 40.1 m170 -107.87 112.6 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.577 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -108.39 117.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.823 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.1 mtpt -112.26 48.11 1.01 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mp -76.38 -77.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.38 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 107.47 122.25 4.81 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.301 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 p30 44.22 39.73 3.15 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 112.18 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -24.87 62.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 110.201 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 57.17 31.81 20.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.364 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.9 155.06 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.828 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 80.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.067 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -50.48 -26.26 4.93 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.986 0.914 . . . . 0.0 112.904 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.63 -20.94 66.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 27.1 tt0 -65.97 -48.9 69.73 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 0.0 111.748 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 mp0 -71.23 -31.16 67.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -46.42 77.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.061 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp0? -59.31 -26.24 64.83 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.3 pp -91.88 -34.26 14.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.536 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.3 m -71.09 -29.8 65.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.17 -24.24 66.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 77' ' ' LEU . 3.2 mm? -72.41 -21.6 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 0.0 110.191 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.0 -20.4 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.59 -22.26 66.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.635 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.68 62.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 110.194 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 46.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.122 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -70.67 68.08 0.39 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.547 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -94.68 -10.67 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.688 0.756 . . . . 0.0 109.385 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -80.05 161.27 25.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.196 -179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.458 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 35.5 m-85 -82.75 62.61 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.2 p -90.01 140.3 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.007 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 106.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.606 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.629 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -98.98 150.22 22.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 tt -163.73 142.13 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 50.1 t0 -130.89 167.71 18.52 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.6 m -101.73 99.83 10.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.94 0.4 . . . . 0.0 110.856 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.66 149.88 37.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.282 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 p -114.43 -2.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.453 0.645 . . . . 0.0 110.372 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 95' ' ' THR . 7.9 tp -158.03 153.61 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.031 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.419 ' N ' HG13 ' A' ' 94' ' ' ILE . 14.8 t -74.93 166.63 23.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.29 156.09 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.432 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -83.27 -174.99 5.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.358 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -79.14 129.58 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -150.28 70.48 1.03 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.655 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -82.76 150.63 26.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.377 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -83.93 65.49 8.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.256 0.55 . . . . 0.0 110.967 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.7 tt -107.91 106.27 20.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.01 127.81 23.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -105.15 1.59 28.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.214 0.531 . . . . 0.0 110.043 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.497 -0.764 . . . . 0.0 110.217 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m 58.05 60.98 2.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.148 0.499 . . . . 0.0 111.556 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -86.51 159.25 19.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ttm -152.75 141.32 20.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.355 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -84.59 78.22 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.315 0.579 . . . . 0.0 109.453 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -78.73 175.06 10.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.454 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -79.09 167.55 20.89 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.757 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -145.49 165.68 27.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.244 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -80.78 -46.26 15.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.437 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 3.2 mp0 -108.69 119.45 39.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.395 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -149.71 164.05 36.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.168 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.84 144.06 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.656 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -157.05 130.12 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.9 mt -117.03 125.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -121.25 102.93 8.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.945 0.402 . . . . 0.0 110.452 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.76 48.36 0.97 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.05 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -127.95 132.82 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.48 43.48 30.27 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.233 0.54 . . . . 0.0 110.366 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.27 -146.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.867 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.12 -90.88 2.2 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.825 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.62 ' HB3' HG23 ' A' ' 55' ' ' ILE . 57.8 tp -161.52 100.07 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.949 0.404 . . . . 0.0 110.62 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 114.2 23.22 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.882 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 57' ' ' VAL . 3.6 pp -142.6 165.72 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.671 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 47.0 p-80 -161.19 142.96 11.91 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.156 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.2 143.88 48.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -127.74 91.79 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.283 0.364 . . . . 0.0 110.884 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -171.56 118.08 0.43 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.334 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.9 151.64 23.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.2 m 59.08 48.55 10.5 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.109 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -138.47 147.26 43.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.288 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -91.86 99.36 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.166 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.29 39.03 0.44 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.9 -23.08 64.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.04 -24.85 62.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.746 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.16 -30.42 67.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.99 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -61.83 -35.95 79.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.984 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.83 -53.15 41.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.472 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.58 -42.73 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.22 -48.83 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -66.66 -51.11 59.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.221 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.48 -44.87 89.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.188 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 53.3 mt -63.94 -35.34 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -34.16 76.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.156 0.503 . . . . 0.0 110.394 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -84.77 -34.09 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.02 -67.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.228 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 136.73 16.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.002 0.43 . . . . 0.0 111.522 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -128.38 -13.65 4.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.22 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -96.86 87.02 4.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.448 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -49.92 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 110.303 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.96 -55.58 0.52 Allowed Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.345 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -140.58 25.6 2.18 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.66 109.86 0.6 Allowed Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.746 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -112.63 135.71 53.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 37.8 ttmt -113.92 117.13 30.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.264 0.554 . . . . 0.0 111.183 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 21' ' ' LEU . 2.7 mp -111.7 65.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.953 0.882 . . . . 0.0 109.485 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.1 m -93.39 84.89 4.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.818 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 88' ' ' SER . 48.0 t -80.38 98.11 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.869 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.671 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 38.5 m-70 -105.67 103.6 13.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.204 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.713 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -103.68 100.74 11.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.136 0.493 . . . . 0.0 110.078 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -96.4 60.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.376 0.608 . . . . 0.0 110.676 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mp -91.1 -68.79 0.77 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 91' ' ' SER . . . 100.27 116.2 3.9 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 p30 45.26 45.55 9.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.723 0.773 . . . . 0.0 111.169 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -17.7 64.35 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.9 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 66.67 14.4 9.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.833 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.8 tp -78.21 149.03 33.75 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.5 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 10.8 m-85 -66.51 107.48 2.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.477 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -60.22 -41.29 92.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.58 -23.79 66.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.137 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 1.2 tt0 -64.49 -39.06 93.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.042 0.449 . . . . 0.0 109.794 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 2.2 mm-40 -71.53 -39.33 70.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.289 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HA ' HG22 ' A' ' 75' ' ' THR . 5.1 mm-40 -64.13 -48.38 76.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.524 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.4 pp0? -61.9 -29.9 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -84.19 -33.6 24.14 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.68 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 72' ' ' GLU . 5.2 t -79.64 -14.25 58.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.594 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.15 -35.81 76.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.99 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.0 mm? -62.89 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.063 0.458 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -100.52 -7.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.431 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.04 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.32 -5.14 45.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -154.88 39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.135 0.493 . . . . 0.0 110.546 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -79.22 65.91 4.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.272 0.558 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.43 19.59 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.059 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.02 179.03 4.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.716 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 73.6 m-85 -88.82 68.11 8.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.463 0.649 . . . . 0.0 109.669 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.0 p -97.05 139.1 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.252 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -161.72 109.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.386 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.641 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 22.3 t -115.05 146.86 40.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.176 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 tt -168.02 141.72 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 120.644 0.259 . . . . 0.0 110.859 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 15.8 t0 -124.35 168.86 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.412 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -80.64 71.61 7.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.98 106.6 8.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.169 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -100.95 1.29 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.839 0.828 . . . . 0.0 109.492 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.9 126.92 51.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -79.82 76.05 6.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.071 0.463 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -87.01 131.64 34.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.625 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -72.27 152.48 42.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.101 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -80.14 128.52 33.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.34 90.77 3.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.074 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -84.29 138.44 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -84.74 75.58 10.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.403 0.621 . . . . 0.0 110.987 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.2 tt -119.42 109.15 25.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.324 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 143.28 49.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.339 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -88.39 6.23 38.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.629 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.937 179.691 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.044 0.45 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -138.17 139.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.339 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -153.48 138.59 17.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.849 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 23' ' ' LEU . 46.6 mt -135.23 117.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.304 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 39.7 tttp -107.76 111.6 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.153 0.501 . . . . 0.0 111.277 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.04 67.23 0.31 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.73 -70.67 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.602 -0.299 . . . . 0.0 111.584 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.545 ' H ' HG23 ' A' ' 17' ' ' THR . 11.0 mtpt -117.77 17.2 14.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.622 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 2.5 m120 -128.42 -166.39 1.62 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.949 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.76 -97.54 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.148 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 55' ' ' ILE . 41.5 tp -161.96 99.95 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.79 106.04 13.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.022 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 14' ' ' ILE . 1.3 pt? -126.7 147.01 49.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.057 0.456 . . . . 0.0 110.969 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -140.52 113.94 8.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.248 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -108.34 128.71 54.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.3 78.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.708 0.29 . . . . 0.0 110.275 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -155.84 135.96 12.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.444 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 143.93 34.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.8 m 58.84 20.42 7.98 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.454 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -116.73 152.92 33.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -77.08 146.86 37.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.003 0.43 . . . . 0.0 111.055 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -116.9 30.76 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.6 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.753 ' HG3' HD22 ' A' ' 34' ' ' LEU . 12.1 pt-20 -61.29 -28.4 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.753 HD22 ' HG3' ' A' ' 33' ' ' GLU . 1.8 mm? -85.47 -3.8 58.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.1 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 5.9 tp -103.87 -50.84 3.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.5 70.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.73 -53.82 40.42 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.426 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD22 HD12 ' A' ' 14' ' ' ILE . 7.1 mp -66.4 -35.94 81.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.474 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -51.26 60.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.694 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.44 -42.26 62.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.13 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ttt -56.37 -48.5 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.936 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.53 -41.58 79.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 m -60.55 -37.87 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.4 mt -79.14 -35.83 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.013 0.435 . . . . 0.0 110.25 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -65.63 -67.56 0.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.538 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -165.61 119.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.669 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -117.75 18.89 14.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.92 0.867 . . . . 0.0 108.703 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.497 ' H ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -80.91 98.7 8.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.183 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.22 -52.08 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.86 -31.95 6.7 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -44.78 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.435 0.636 . . . . 0.0 110.266 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 86.53 0.07 OUTLIER Glycine 0 C--N 1.312 -0.784 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.256 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.43 113.13 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.26 0.552 . . . . 0.0 111.649 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -89.93 97.13 11.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.793 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 21' ' ' LEU . 6.8 mt -102.97 70.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.435 0.636 . . . . 0.0 109.604 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.8 m -106.58 102.21 11.61 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.77 94.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -102.05 92.4 4.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.159 0.505 . . . . 0.0 110.637 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -93.37 83.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.53 -179.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -83.13 68.73 9.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.41 0.624 . . . . 0.0 109.901 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.02 -68.7 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.803 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.84 -121.1 3.85 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -85.69 22.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.33 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.1 t80 56.02 73.87 0.41 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.342 0.592 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.4 tp -80.09 151.82 29.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -78.35 81.22 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.5 -27.59 68.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.858 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 11.5 mm100 -73.52 -36.89 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.997 0.427 . . . . 0.0 110.54 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.7 mm-40 -86.01 -31.75 21.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.383 0.611 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 40.9 tt0 -62.96 -41.07 99.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.191 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 10.3 pt20 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.452 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -79.57 -29.61 41.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.21 -31.86 72.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 6.1 mm-40 -54.08 -32.96 56.31 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.387 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.69 -34.85 79.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.148 0.499 . . . . 0.0 110.652 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -88.49 -27.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -60.84 -27.12 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.996 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -71.23 -13.08 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -143.12 39.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.36 0.6 . . . . 0.0 109.97 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 48.4 pttt -75.48 62.12 1.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.373 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.89 -11.94 37.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.759 0.79 . . . . 0.0 109.25 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.443 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -86.6 175.17 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.74 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -84.94 73.65 10.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.903 0.382 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.6 p -100.78 130.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.686 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -156.02 105.45 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -109.35 133.54 52.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.5 tt -157.77 135.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.455 . . . . 0.0 110.874 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.4 p-10 -110.51 -153.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 CA--C 1.532 0.278 0 O-C-N 122.107 -0.371 . . . . 0.0 111.429 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.7 p90 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.834 0.349 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.09 136.71 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.064 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -155.67 143.46 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.905 0.383 . . . . 0.0 110.272 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.79 117.06 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.88 105.8 15.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.966 0.412 . . . . 0.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.18 89.27 0.15 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -124.6 -82.69 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.996 0.427 . . . . 0.0 111.182 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -111.26 25.83 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.0 109.684 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -130.53 -165.05 1.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.575 -1.193 . . . . 0.0 108.543 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.56 -87.58 0.39 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.381 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HB3' HG23 ' A' ' 55' ' ' ILE . 37.9 tp -170.58 110.74 0.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.827 0.346 . . . . 0.0 110.617 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 90.36 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.78 144.84 34.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.02 0.438 . . . . 0.0 111.08 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -149.61 111.83 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.83 125.08 51.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.12 81.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.633 0.254 . . . . 0.0 111.335 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 31.3 t0 -154.52 145.58 22.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -107.5 144.63 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.6 m 68.09 -2.7 1.42 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 66.7 m -87.36 158.65 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.607 0.242 . . . . 0.0 110.575 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -85.82 139.85 30.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.952 0.406 . . . . 0.0 110.487 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -100.05 24.06 9.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.757 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -57.33 -37.23 72.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.05 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.8 mm? -76.77 -36.67 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.109 0.481 . . . . 0.0 109.815 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.9 tp -66.04 -54.9 20.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.735 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.17 -40.71 86.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.353 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.52 -50.28 61.01 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.02 -35.66 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.66 0.267 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -55.06 39.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -63.73 -37.05 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.87 -52.57 59.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.73 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.18 -36.66 82.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -58.49 -25.2 62.1 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -113.34 8.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.416 0.627 . . . . 0.0 110.288 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.87 -55.74 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.21 106.67 4.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.314 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.8 31.88 2.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.633 0.73 . . . . 0.0 109.437 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.4 121.74 45.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.698 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.464 ' HB3' ' N ' ' A' ' 53' ' ' GLN . 43.0 t0 -139.23 126.39 21.26 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.38 -11.79 76.37 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.325 -0.464 . . . . 0.0 112.785 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 12.69 25.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 110.092 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.67 99.14 2.02 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.597 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' N ' ' HB3' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -60.93 114.0 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.132 0.491 . . . . 0.0 111.476 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -90.7 106.81 18.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.479 HG23 ' HB3' ' A' ' 21' ' ' LEU . 20.9 mt -107.51 93.26 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -110.84 108.18 17.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -96.94 93.61 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.736 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -103.2 90.71 3.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.963 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -97.99 80.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.972 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -86.91 66.85 9.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.439 0.637 . . . . 0.0 109.98 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 10.8 mt -88.15 -11.01 48.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.996 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.86 -137.18 28.17 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.775 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -78.21 33.96 0.2 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -77.75 -13.86 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.41 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.8 t80 65.35 80.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.08 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -92.95 127.46 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.282 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -75.59 92.13 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.87 -20.24 49.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.824 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' A' ' 68' ' ' LYS . 31.0 mm-40 -59.53 -42.58 92.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.658 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.2 mm100 -64.56 -45.81 85.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 3.6 tt0 -64.06 -45.43 88.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.83 -47.58 84.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.226 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.2 pt20 -58.6 -32.65 69.19 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -84.44 -29.96 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.648 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.2 m -74.15 -28.06 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -49.62 -37.81 29.46 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.73 -29.17 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.621 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.58 -27.54 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.998 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -19.37 64.32 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.39 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.175 0.512 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -153.03 46.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.331 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -78.69 63.77 3.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.264 0.554 . . . . 0.0 112.205 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.22 -16.09 58.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.817 0.818 . . . . 0.0 109.1 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.538 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -75.42 169.79 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.315 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -88.17 71.45 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.471 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.4 p -99.66 129.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.593 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -142.2 102.82 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.172 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -99.81 135.77 40.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.335 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.5 tt -152.49 139.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.118 0.485 . . . . 0.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' HA ' HG23 ' A' ' 59' ' ' VAL . 3.2 p30 -111.2 -169.23 1.42 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.035 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.629 0.252 . . . . 0.0 110.744 179.489 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.247 0 CA-C-O 120.711 0.291 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -160.96 131.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.829 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -155.25 139.93 17.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mt -132.06 104.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -94.34 108.92 20.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.22 31.97 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.67 -85.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.255 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -105.34 15.71 26.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.332 0.587 . . . . 0.0 110.181 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.43 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m120 -119.53 178.55 4.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.301 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.24 -80.9 0.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.389 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 60.8 tp -171.52 98.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.226 0.536 . . . . 0.0 110.747 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.86 104.27 11.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD21 HG22 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -118.02 139.8 50.67 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.003 0.43 . . . . 0.0 110.515 -179.175 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -139.56 123.1 17.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.377 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 tp -129.73 135.76 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.817 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -124.91 63.54 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.33 109.65 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.122 0.487 . . . . 0.0 110.18 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.61 146.17 24.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.766 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.5 m 64.79 34.84 9.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.514 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -132.62 166.49 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.842 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -90.7 118.42 30.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -89.82 28.41 1.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.685 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.19 -39.28 63.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.751 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.6 mt -70.66 -31.7 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.39 -46.26 20.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.462 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.36 -41.5 89.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.279 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.62 -50.3 61.17 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.911 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.73 -39.54 84.26 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.9 -55.41 35.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.58 -42.14 95.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.004 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.0 ttt -60.18 -57.94 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.868 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.04 -39.34 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 m -51.63 -39.89 58.9 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mt -97.44 -22.94 4.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.674 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 -63.09 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.88 125.02 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 111.619 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -135.71 24.05 3.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.67 0.748 . . . . 0.0 109.316 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.72 84.49 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.235 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.97 -47.62 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.342 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.09 -32.34 7.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.049 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.15 -45.02 4.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.42 83.17 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.27 115.84 2.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 0.0 112.231 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -96.83 112.48 24.21 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.699 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 17.4 mt -115.18 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.562 0.696 . . . . 0.0 109.608 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -101.7 98.75 8.99 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.063 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG22 HD21 ' A' ' 23' ' ' LEU . 21.4 t -85.84 95.19 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.506 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -104.07 96.37 6.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -104.22 98.98 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 68.84 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.524 HD13 HH11 ' A' ' 64' ' ' ARG . 8.7 mt -83.25 -14.06 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.532 -178.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.79 -135.05 28.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.69 20.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.524 HH11 HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.51 -37.07 77.34 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 179.42 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.2 t80 62.02 86.44 0.11 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.658 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 64' ' ' ARG . 58.2 tp -103.52 160.1 15.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.528 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -76.77 68.12 2.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -34.61 14.22 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.063 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -30.08 70.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.082 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 7.0 mm100 -69.84 -39.61 76.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.616 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 4.2 mp0 -72.94 -37.22 67.23 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 35.5 tt0 -63.99 -46.54 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.653 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.8 pp0? -56.29 -31.12 63.34 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.7 pp -87.28 -22.0 25.44 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.603 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.7 m -81.46 -20.5 40.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.187 0.518 . . . . 0.0 110.005 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 25.7 mm-40 -56.98 -27.58 61.52 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.913 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.64 -40.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.57 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.83 -32.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.069 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -60.68 -24.9 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.205 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m -59.85 -27.95 67.09 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.008 0.433 . . . . 0.0 111.412 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -152.05 57.45 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.787 0.803 . . . . 0.0 109.175 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -77.87 79.06 4.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.167 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -81.87 -18.41 43.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.751 0.786 . . . . 0.0 109.38 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.545 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.31 167.95 20.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.511 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -84.1 73.55 10.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.454 0.645 . . . . 0.0 110.186 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 13.7 p -93.16 141.93 13.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.457 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -155.14 86.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.997 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 m -98.26 116.76 31.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.76 146.1 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.801 0.334 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -117.03 -146.13 0.4 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 118.365 0.53 . . . . 0.0 110.931 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.91 136.67 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.017 0.437 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -132.32 135.16 46.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mt -133.59 93.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.265 0.555 . . . . 0.0 109.7 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -87.97 110.45 20.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.613 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.37 30.43 2.42 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.172 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.15 115.5 30.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.473 0.178 . . . . 0.0 111.188 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.76 43.41 30.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.12 -154.41 0.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.781 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 47' ' ' TYR . . . -99.73 -83.99 1.77 Allowed Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.95 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 39' ' ' GLN . 37.0 tp -168.96 94.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.036 0.446 . . . . 0.0 110.73 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.49 99.44 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.896 0.379 . . . . 0.0 109.983 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.64 152.9 40.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.081 0.467 . . . . 0.0 111.182 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -151.45 120.14 6.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.699 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.8 127.31 51.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.7 73.32 1.12 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -144.34 138.51 27.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.03 147.32 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m 61.55 25.76 15.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.91 -1.041 . . . . 0.0 113.067 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -114.68 167.49 10.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.55 0.214 . . . . 0.0 110.542 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -77.08 146.16 37.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -126.42 16.28 7.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.03 -37.82 75.07 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.243 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.2 mm? -73.51 -38.71 65.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 109.991 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.12 -48.26 82.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.564 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 15.5 t0 -62.65 -47.13 85.05 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.148 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.75 -25.48 58.89 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.952 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -81.65 -51.46 8.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.613 0.244 . . . . 0.0 110.852 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.599 ' HB2' HD21 ' A' ' 21' ' ' LEU . 1.7 pp0? -68.36 -34.58 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.628 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -74.22 -6.37 47.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 111.302 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 ttm -114.41 -49.12 2.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.517 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.27 -33.46 71.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -65.86 -11.41 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.116 0.26 . . . . 0.0 111.441 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -115.09 -30.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.109 0.481 . . . . 0.0 110.144 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.07 -58.31 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.761 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.45 99.54 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 3.8 p90 -133.66 23.15 3.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.547 0.689 . . . . 0.0 109.227 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 102.59 12.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.995 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 38.8 t70 -120.27 -177.5 3.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.415 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -76.11 56.07 3.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 62.78 26.29 15.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.275 0.63 . . . . 0.0 111.506 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.5 22.35 3.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.133 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.73 125.26 23.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.383 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -100.32 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.083 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 44.2 mt -112.77 88.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -121.3 103.67 9.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -85.93 95.59 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.601 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -94.12 83.2 4.24 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.982 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.8 74.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.12 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -85.75 62.02 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.546 0.688 . . . . 0.0 109.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.29 -25.41 46.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.202 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.64 -128.97 8.82 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.4 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -77.96 28.67 0.17 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.59 -25.7 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 58.93 64.38 1.43 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.081 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.7 tp -81.91 146.85 29.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.907 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -79.64 70.59 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -15.48 2.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.75 -22.57 65.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.001 0.429 . . . . 0.0 110.115 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.649 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 5.3 mm100 -73.8 -53.1 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.396 0.617 . . . . 0.0 109.519 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.588 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 24.2 mp0 -65.54 -34.0 77.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.194 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 tp10 -59.01 -46.75 87.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 7.9 pt20 -62.08 -36.76 82.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -80.15 -30.61 38.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.506 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -70.91 -27.72 64.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 47.2 mm-40 -55.62 -31.7 62.5 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.128 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.91 -46.35 88.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.17 0.509 . . . . 0.0 110.206 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.91 -32.92 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.025 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -63.27 -20.53 65.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.702 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.412 ' HB2' ' HD3' ' A' ' 81' ' ' LYS . 37.5 m -66.59 -24.78 66.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.172 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 80' ' ' SER . 0.9 OUTLIER -149.31 60.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.279 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 1.1 pttt -74.27 75.02 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.56 0.695 . . . . 0.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -86.11 -32.41 21.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.941 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.512 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -72.88 167.51 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.597 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.95 73.84 6.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 109.618 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 14.4 p -109.13 134.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.175 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.27 117.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.367 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.3 m -108.9 146.26 34.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.7 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -153.86 138.74 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.966 0.412 . . . . 0.0 110.57 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -122.55 -176.41 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.655 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.811 0.339 . . . . 0.0 111.017 179.267 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 p90 . . . . . 0 C--O 1.236 0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.39 144.28 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.461 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -138.03 134.1 34.38 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -131.96 99.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.001 0.429 . . . . 0.0 110.554 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -93.15 98.48 11.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.34 87.82 0.27 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.777 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -175.25 111.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 61.44 40.74 13.6 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.642 0.734 . . . . 0.0 110.776 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -161.03 -157.19 0.5 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.77 -87.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.905 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 55' ' ' ILE . 19.4 tp -161.82 95.91 1.0 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 97.0 6.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.213 0.53 . . . . 0.0 109.965 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.3 pt? -128.96 152.32 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -147.69 123.65 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -116.26 136.07 53.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.75 70.71 1.07 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.187 0.518 . . . . 0.0 110.882 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t0 -129.02 176.63 7.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.576 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.19 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.334 -0.246 . . . . 0.0 110.334 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t 64.2 14.42 8.62 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.849 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.53 -174.29 2.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -120.79 119.73 33.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD2' HD21 ' A' ' 61' ' ' LEU . 1.6 m-20 -74.3 37.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.5 -44.27 96.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.67 0.271 . . . . 0.0 110.865 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.8 -33.03 70.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.528 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.08 -49.45 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.373 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.14 -40.11 80.48 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.595 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.66 75.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.314 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.39 -38.64 68.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 110.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -58.54 -54.57 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -24.93 64.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.234 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.11 -57.52 3.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.35 -39.42 83.18 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 m -60.1 -25.74 65.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mt -106.3 -20.67 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.241 0.544 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -83.81 -46.45 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.631 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -153.46 96.57 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.161 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -120.91 8.81 10.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.191 0.52 . . . . 0.0 110.434 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -126.3 118.37 24.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.396 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -104.38 -60.65 1.56 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.99 -28.53 5.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.736 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -103.92 -29.19 11.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.076 0.465 . . . . 0.0 109.964 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.6 80.73 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.301 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -65.81 110.08 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.065 0.459 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -85.08 112.43 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.654 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 mt -114.63 91.18 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.211 0.529 . . . . 0.0 109.955 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -121.07 115.24 22.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.937 0.399 . . . . 0.0 110.531 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 t -106.08 101.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.608 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -110.09 94.81 5.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.23 87.78 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.418 0.628 . . . . 0.0 110.139 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -85.78 63.62 8.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.673 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 14.5 mt -86.57 -54.12 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.143 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.76 -113.76 4.82 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.951 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.87 29.92 0.2 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 61' ' ' LEU . 6.3 tpm_? -81.38 -35.5 30.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 58.06 48.3 13.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.516 0.674 . . . . 0.0 109.989 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.16 144.23 57.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.207 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -77.33 71.81 3.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.858 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.622 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 2.2 pttt -54.06 -17.82 3.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.443 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.073 0.463 . . . . 0.0 110.046 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 16.4 mm100 -68.6 -36.39 78.62 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.168 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.622 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 17.2 mp0 -83.85 -36.78 23.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.419 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -61.55 -42.14 98.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.454 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.7 pp0? -57.93 -36.32 72.34 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 1.9 pp -83.77 -33.18 25.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.217 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.7 m -65.95 -31.66 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.483 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -56.61 -27.61 58.59 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.594 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.5 -37.93 88.23 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.473 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.81 -16.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.212 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.589 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -69.33 -11.79 61.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 111.241 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.88 37.9 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.966 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -75.62 52.23 0.64 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.086 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.74 -23.57 53.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.86 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -70.47 173.22 7.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.874 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -81.9 69.74 8.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.041 0.448 . . . . 0.0 110.037 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.654 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.4 p -108.38 126.64 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.341 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.52 103.36 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -97.58 130.06 44.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.358 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.3 tt -138.68 137.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -114.85 -168.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 p90 . . . . . 0 C--O 1.236 0.346 0 CA-C-O 120.927 0.394 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.24 143.22 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -146.16 134.79 22.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mt -134.92 116.79 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -127.53 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.905 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.19 45.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.653 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -94.76 -33.68 12.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 111.593 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -132.35 9.59 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.089 0.471 . . . . 0.0 110.951 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -136.24 -177.17 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.27 -86.03 0.03 OUTLIER Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.004 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HB3' HG23 ' A' ' 55' ' ' ILE . 53.4 tp -170.7 109.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.891 0.376 . . . . 0.0 110.984 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.69 102.02 8.54 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -123.77 149.72 45.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.37 . . . . 0.0 110.984 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -155.63 125.58 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.436 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 tt -131.79 129.9 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -122.05 82.33 1.94 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.52 0.2 . . . . 0.0 110.785 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -158.28 126.48 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 110.393 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.23 159.0 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.142 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 m 68.96 11.07 8.24 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.242 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -115.57 166.93 11.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.1 140.17 30.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.479 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 19.78 10.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.916 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.38 -36.57 80.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -73.74 -14.58 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.04 -49.01 6.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 21.7 t0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.34 59.99 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.84 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.17 -30.77 27.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG2' HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -57.77 -47.65 81.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.343 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -8.88 59.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.375 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 ttt -90.84 -59.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.59 -39.51 80.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -57.56 -42.02 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.126 0.489 . . . . 0.0 111.221 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.3 -34.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.11 -59.1 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.506 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.05 105.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.953 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -109.78 20.3 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.492 0.663 . . . . 0.0 109.24 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.62 103.68 13.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -127.21 124.13 38.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.48 -12.12 84.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.329 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -96.25 0.03 50.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.015 0.436 . . . . 0.0 109.865 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.13 95.85 2.41 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.42 99.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.0 111.837 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -89.99 112.14 23.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.936 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.503 HG23 ' HB3' ' A' ' 21' ' ' LEU . 63.5 mt -106.58 95.99 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 m -114.12 105.04 12.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.132 0.492 . . . . 0.0 111.762 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 HD11 ' A' ' 23' ' ' LEU . 19.7 t -91.24 88.39 2.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -93.74 85.76 4.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 111.105 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.86 68.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.624 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -83.77 59.41 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.329 0.585 . . . . 0.0 109.688 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.98 -68.54 0.54 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.745 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.08 -141.23 12.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.54 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.31 30.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -9.54 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.8 t80 65.98 80.06 0.23 Allowed 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.684 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.5 156.55 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.279 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.19 94.6 5.1 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.838 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.527 ' HE3' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -59.86 -18.71 46.38 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.902 0.382 . . . . 0.0 110.453 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.527 ' OE2' ' HE3' ' A' ' 68' ' ' LYS . 55.8 mm-40 -63.59 -35.08 79.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.491 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.34 -45.37 73.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.796 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' ' HA ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -67.47 -44.24 79.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.122 0.487 . . . . 0.0 109.691 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 18.0 tt0 -56.85 -52.24 65.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.639 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -59.44 -39.86 84.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -75.11 -31.96 61.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.002 0.43 . . . . 0.0 110.473 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -71.09 -32.79 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.576 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 9.1 mm-40 -52.12 -29.42 21.71 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.23 -37.59 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.831 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.43 -18.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.164 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.49 71.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -25.08 67.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.44 0.638 . . . . 0.0 110.938 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -136.56 53.4 1.92 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -73.83 56.19 0.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.726 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.66 -29.49 51.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.569 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -69.85 152.02 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.558 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.33 86.22 6.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.185 0.517 . . . . 0.0 110.742 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 12.3 p -103.91 138.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -156.08 104.85 2.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 m -103.57 155.23 18.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 tt -155.37 117.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.346 0.593 . . . . 0.0 109.751 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.98 -174.53 2.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.017 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 179.11 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.0 p90 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -145.71 138.28 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.259 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -133.45 134.39 43.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.965 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.57 124.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.566 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 23.8 pttt -138.66 135.79 35.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.147 0.499 . . . . 0.0 110.239 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.41 31.43 0.58 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.231 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -95.16 115.1 26.99 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.623 -0.34 . . . . 0.0 110.409 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 mttp 62.66 15.55 8.13 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.826 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 4.8 m120 -130.58 177.78 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.274 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.86 -84.83 0.21 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.538 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 39' ' ' GLN . 44.8 tp -170.36 109.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.967 0.413 . . . . 0.0 110.631 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -127.51 112.96 15.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.861 0.363 . . . . 0.0 110.514 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD21 HG22 ' A' ' 57' ' ' VAL . 1.2 pt? -140.84 153.4 45.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.431 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -150.82 128.16 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.17 129.01 51.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.27 103.14 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.406 0.146 . . . . 0.0 111.191 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.601 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.5 t70 -166.05 -165.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' OD1' ' A' ' 63' ' ' ASN . . . -162.85 142.79 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.65 31.87 21.16 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 110.695 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 m -122.23 156.3 34.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.44 156.85 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.398 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -105.68 17.89 23.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.74 -42.2 67.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -87.37 1.29 53.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.382 . . . . 0.0 111.134 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -103.33 -50.83 3.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.962 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 6.4 t70 -57.36 -48.14 79.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.722 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.55 -28.98 38.65 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.191 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.647 0.261 . . . . 0.0 110.795 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.851 ' HB2' HD21 ' A' ' 21' ' ' LEU . 2.3 pp0? -62.36 -35.99 80.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.598 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 3.4 t-20 -63.77 -54.11 40.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.03 -41.32 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 23.0 mt -59.6 -43.68 93.64 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m -65.46 -14.28 60.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.783 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.39 -43.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.445 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 pt-20 -73.53 -35.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.55 97.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -114.62 8.39 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.627 0.727 . . . . 0.0 109.329 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.27 90.16 5.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 2.8 t70 -69.09 -54.06 16.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.05 -28.11 8.2 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.15 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -118.6 -52.1 2.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 0.0 110.487 -178.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.85 81.59 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 98.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.274 0.559 . . . . 0.0 111.868 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -87.33 101.53 13.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.42 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.79 HG23 ' HB3' ' A' ' 21' ' ' LEU . 32.2 mt -102.82 75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.5 m -111.46 97.85 7.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.015 0.436 . . . . 0.0 112.075 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG22 HD21 ' A' ' 23' ' ' LEU . 21.7 t -82.88 89.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -99.73 99.5 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.76 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.5 153.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.889 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' HD2' ' OG ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.1 71.9 1.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.322 179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.601 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 17.4 mt -106.77 -52.44 2.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.568 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 85.15 -86.41 1.56 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.735 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.41 ' OD1' ' HB1' ' A' ' 28' ' ' ALA . 46.0 p-10 -84.38 46.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.256 0.55 . . . . 0.0 110.891 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -22.8 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.951 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 49.0 48.38 20.8 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.48 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 tp -99.27 137.39 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -67.87 116.59 8.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.74 63.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 110.317 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -64.36 -29.77 70.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.073 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.3 mm100 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.821 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 34.3 mt-10 -73.63 -38.9 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.89 -44.62 96.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.858 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.9 pt20 -62.48 -23.82 67.13 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -95.99 -35.66 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.245 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -73.21 -20.11 60.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.44 -36.11 61.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.787 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.61 -26.27 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -97.21 -31.18 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.584 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -56.26 -32.16 64.25 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -14.7 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.836 0.35 . . . . 0.0 111.323 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -144.45 38.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 110.044 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 21.6 pttp -81.02 52.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.52 0.676 . . . . 0.0 110.991 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.41 4.78 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.226 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -96.67 172.93 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.03 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -82.71 62.43 6.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -97.29 138.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 107.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -103.11 148.62 25.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.277 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.4 tt -170.61 155.61 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.62 159.34 40.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.501 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 CA-C-O 120.984 0.421 . . . . 0.0 111.156 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.7 p90 . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.744 0.306 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.15 148.26 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -144.82 131.87 20.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mt -138.68 120.71 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.979 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -131.81 137.92 48.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.529 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -164.43 48.18 0.3 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.026 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 t -100.36 108.36 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.631 -0.334 . . . . 0.0 110.263 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt 64.42 14.08 8.57 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.888 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.543 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 15.5 m120 -127.87 -179.32 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.05 -95.88 0.03 OUTLIER Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.58 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HB3' HG23 ' A' ' 55' ' ' ILE . 30.7 tp -168.11 101.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.202 0.525 . . . . 0.0 110.449 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -116.52 116.81 28.32 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -143.5 154.46 43.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.957 0.408 . . . . 0.0 110.597 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 42.3 t60 -152.21 135.9 16.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.115 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.55 124.42 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.067 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -105.7 108.5 20.05 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t70 -170.25 -167.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -167.38 140.51 3.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.562 0.22 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m 62.62 23.56 14.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.43 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.82 167.63 10.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.44 144.06 26.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.469 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -108.72 16.67 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.23 -36.93 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 111.601 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.81 -20.79 61.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.203 0.525 . . . . 0.0 110.386 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tp -85.56 -43.27 13.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.592 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 11.0 t70 -59.47 -47.3 86.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.53 59.54 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.602 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.16 -53.23 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 111.211 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HB2' HD21 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -64.2 -37.98 89.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.608 -178.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -63.92 -49.31 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.2 ttt -62.1 -49.42 75.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.089 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.86 -47.86 84.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 m -65.3 -12.86 55.98 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -92.29 -48.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.0 -27.7 16.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.2 85.04 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.132 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -120.31 11.77 11.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.043 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 m -101.04 99.83 10.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.543 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 5.5 t70 -83.04 -44.48 15.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.405 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.8 -43.57 1.65 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.659 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -99.82 -45.13 5.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.366 0.603 . . . . 0.0 110.046 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.48 92.21 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.404 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.07 94.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.109 0.48 . . . . 0.0 110.972 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -78.71 90.62 4.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.071 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.595 HG23 ' HB3' ' A' ' 21' ' ' LEU . 43.8 mt -96.05 85.64 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 m -118.2 100.46 7.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.151 0.501 . . . . 0.0 111.765 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.69 93.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 67.3 m170 -100.13 97.09 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.507 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -94.78 135.97 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.45 60.66 0.94 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 36.0 mt -100.87 -49.7 4.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.111 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 87.79 -96.55 2.19 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.687 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -87.11 60.24 6.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.745 0.784 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 17.4 ptt-85 -84.23 -18.97 34.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.537 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.1 t80 50.58 57.71 6.31 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.9 tp -114.53 142.08 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.5 121.06 21.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -25.23 68.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.126 0.489 . . . . 0.0 110.291 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 mp0 -60.49 -35.48 76.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.005 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 17.1 mm100 -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 8.9 mt-10 -85.57 -43.26 13.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.707 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.75 -34.07 75.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 22.5 pt20 -60.07 -35.89 76.17 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.1 pp -88.79 -25.08 22.44 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.6 m -69.8 -21.59 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.675 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.23 -31.39 63.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.308 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.52 -29.62 68.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.303 0.573 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.27 -26.86 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.708 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -27.26 62.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 p -73.33 -16.66 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 0.0 110.731 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -145.79 42.3 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.389 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -84.07 46.78 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.313 0.578 . . . . 0.0 111.11 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.05 -0.62 57.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.884 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -92.24 175.84 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.025 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.64 73.94 6.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -110.44 125.33 67.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -152.54 113.54 4.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -106.16 141.81 36.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tp -160.34 146.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.461 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.596 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 29.1 t0 -127.57 165.9 19.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.532 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.9 m . . . . . 0 C--N 1.323 -0.562 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.2 p90 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.17 143.9 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.465 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -152.44 139.93 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.406 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.8 127.16 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.159 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.93 106.26 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.396 . . . . 0.0 110.112 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.83 79.8 0.19 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -130.88 -69.87 0.63 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.755 0.312 . . . . 0.0 111.46 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -110.29 40.42 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.746 0.784 . . . . 0.0 109.147 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -158.68 -162.79 1.15 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.704 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.52 -95.18 0.32 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.045 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 55' ' ' ILE . 29.7 tp -163.17 101.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.284 0.564 . . . . 0.0 110.308 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.31 101.25 8.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.925 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.5 pt? -133.9 154.41 51.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.79 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -153.45 128.36 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.584 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -116.39 132.63 56.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.52 76.4 1.41 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.41 127.65 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.057 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.98 153.96 19.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.558 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.7 m 62.21 27.04 16.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.653 0.381 . . . . 0.0 111.528 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.9 m -127.4 158.81 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -92.38 128.23 38.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.007 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.52 34.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.401 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -60.15 -35.43 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.296 0.569 . . . . 0.0 110.567 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.23 -3.5 57.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.95 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -103.98 -52.83 2.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.501 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.59 78.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.291 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.46 99.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.3 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.54 -31.56 32.65 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.702 -0.293 . . . . 0.0 110.558 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -54.47 46.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.148 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.61 -34.95 76.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.8 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.3 tpp -61.73 -56.23 21.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.697 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.37 -36.52 84.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -61.35 -21.44 64.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 111.51 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -104.59 -34.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 110.348 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.96 -57.65 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.495 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -155.42 118.0 4.23 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.064 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -145.97 26.33 1.24 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.43 0.633 . . . . 0.0 109.539 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -104.16 84.11 2.18 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.655 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' HD3' ' A' ' 51' ' ' LYS . 25.8 t0 -96.04 145.58 25.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.076 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -95.65 -7.98 58.63 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HD3' ' OD1' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -107.0 18.05 22.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.98 0.419 . . . . 0.0 109.907 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.58 91.68 1.1 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.009 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.64 117.75 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.166 0.507 . . . . 0.0 111.795 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -93.41 107.59 19.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.674 HG23 ' HB3' ' A' ' 21' ' ' LEU . 9.9 mt -112.02 67.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.481 0.657 . . . . 0.0 109.821 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -95.93 90.68 5.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.188 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 88' ' ' SER . 41.7 t -81.43 102.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.897 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -106.52 93.62 4.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -95.64 82.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.211 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -94.37 74.87 3.89 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.631 HD13 ' HG2' ' A' ' 64' ' ' ARG . 1.4 mt -81.71 -65.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.977 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.87 -79.69 0.36 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.676 -0.774 . . . . 0.0 113.046 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.6 35.96 3.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 110.961 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.631 ' HG2' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -86.35 -23.46 26.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 t80 69.57 70.13 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.101 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 tp -69.44 141.22 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.29 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -85.0 93.82 8.67 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -28.09 68.46 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.88 -35.47 76.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.0 110.147 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -71.52 -36.37 71.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.19 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 7.7 mm-40 -78.34 -38.56 41.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.44 0.638 . . . . 0.0 110.524 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.3 tt0 -61.7 -48.32 81.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.636 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -32.16 65.66 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -85.59 -32.52 22.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -70.18 -26.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.48 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 7.3 mm-40 -51.98 -37.33 52.73 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.376 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.73 -49.75 75.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.02 -29.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.25 56.15 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.843 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -142.87 50.42 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.959 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -78.75 59.51 2.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.465 0.65 . . . . 0.0 111.468 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -77.31 -16.25 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.741 0.782 . . . . 0.0 109.226 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.62 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -75.61 167.8 21.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.853 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.8 68.39 10.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 0.0 109.936 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 2.9 p -96.65 119.84 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.622 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -140.84 94.68 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.138 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -95.89 129.68 43.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.109 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.9 tt -148.94 135.28 12.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.978 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.2 p-10 -104.5 -176.55 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.894 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.603 0.24 . . . . 0.0 110.763 179.413 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.4 136.23 5.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.238 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 t -153.45 143.37 22.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.95 110.75 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -109.58 122.93 48.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.88 77.84 0.1 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.824 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 t -144.72 -48.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.61 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -107.88 -9.41 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 110.74 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -126.15 -158.62 0.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.96 -106.96 0.12 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.525 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.516 ' HB3' HG23 ' A' ' 55' ' ' ILE . 51.3 tp -148.84 105.18 3.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.121 0.486 . . . . 0.0 110.385 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -119.49 107.94 13.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.141 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.43 151.82 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.898 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 6.3 t-80 -152.02 128.17 10.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.501 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -126.91 133.84 50.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.14 60.21 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.788 ' OD2' ' HB2' ' A' ' 30' ' ' SER . 2.1 t70 -123.95 141.52 51.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.15 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.75 147.76 48.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.465 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.0 m 73.99 -29.44 0.2 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.679 0.792 . . . . 0.0 112.382 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.788 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 3.6 m -81.51 176.14 9.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -108.68 145.5 34.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.473 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 15.3 p-10 -100.75 49.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.983 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -33.37 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.512 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.73 -15.86 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.4 . . . . 0.0 111.27 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 11.7 tp -85.52 -52.67 5.68 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.694 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -32.41 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.561 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -50.75 61.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.016 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.3 -35.81 71.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.713 0.292 . . . . 0.0 110.389 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -54.84 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.07 -39.31 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.462 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -56.75 14.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.14 -36.32 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 t -64.85 -24.36 67.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -103.08 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 110.774 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -73.07 -66.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.232 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.14 118.32 3.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.826 0.346 . . . . 0.0 111.437 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -134.24 24.66 3.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.8 0.809 . . . . 0.0 109.117 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.33 90.74 8.19 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.809 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.61 -67.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.734 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.96 -40.82 1.92 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.296 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.4 0.619 . . . . 0.0 110.85 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.39 79.16 0.05 OUTLIER Glycine 0 C--N 1.314 -0.64 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 119.39 7.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.061 0.458 . . . . 0.0 111.534 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -94.19 102.56 14.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.8 mt -102.61 72.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -108.55 107.13 17.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.795 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -91.54 100.26 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.408 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 55.8 m170 -99.23 89.38 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.02 0.438 . . . . 0.0 110.573 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -96.7 74.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.476 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -79.57 64.34 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 110.101 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 8.5 mt -74.67 -75.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.621 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.57 -121.68 3.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.758 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -81.42 22.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.039 0.447 . . . . 0.0 111.064 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -65.89 -36.64 83.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.965 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 t80 54.56 66.1 1.33 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.479 0.657 . . . . 0.0 110.29 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.09 157.8 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.86 84.41 2.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.245 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -51.74 -42.56 62.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.38 -179.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -60.87 -28.62 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.4 mm100 -72.95 -38.47 66.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.687 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 22.3 mm-40 -79.78 -30.2 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.266 0.555 . . . . 0.0 109.826 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.1 tp10 -62.68 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 18.6 pt20 -59.48 -34.64 72.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.555 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.3 pp -81.34 -31.01 33.64 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.103 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -67.04 -31.68 72.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.795 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 11.2 mm-40 -53.52 -35.36 60.58 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.887 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.62 -48.13 82.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.597 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.38 -28.73 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.592 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.86 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.591 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 m -70.75 -21.93 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -149.1 53.34 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.523 0.678 . . . . 0.0 109.759 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -80.35 60.97 3.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.82 -27.96 36.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.326 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.555 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -75.66 173.88 10.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.54 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -83.81 69.38 10.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 0.0 110.551 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.556 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -96.15 125.57 48.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.358 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -154.39 109.82 3.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.85 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -107.12 134.96 49.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.164 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.79 131.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.976 0.417 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.3 p-10 -113.76 -161.57 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.657 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 p90 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.75 0.309 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -137.3 147.62 26.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.444 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -145.45 137.09 25.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 23' ' ' LEU . 11.9 mt -139.22 119.42 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.298 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -120.26 118.32 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.56 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -130.26 28.58 3.82 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.973 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -123.93 149.72 45.58 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.763 -0.257 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 57.32 23.66 9.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.556 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.456 ' CG ' ' H ' ' A' ' 20' ' ' GLY . 7.8 t-20 -173.56 -150.26 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.456 ' H ' ' CG ' ' A' ' 19' ' ' ASN . . . -96.38 -91.4 1.82 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' A' ' 55' ' ' ILE . 18.4 tp -154.63 109.52 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.63 102.25 8.11 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.5 pt? -130.52 150.36 51.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.01 0.434 . . . . 0.0 111.183 -178.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -145.99 130.51 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.3 tp -120.31 136.39 54.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.57 77.16 1.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.728 0.299 . . . . 0.0 111.337 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 10.2 t70 -164.24 148.1 9.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.54 21.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.453 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.584 ' H ' ' HB2' ' A' ' 64' ' ' ARG . 80.3 m 52.61 34.77 16.47 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.971 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.525 ' O ' ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -125.95 137.2 53.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.084 0.469 . . . . 0.0 112.217 -179.042 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.41 95.87 8.73 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -89.77 82.67 6.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.758 0.79 . . . . 0.0 110.265 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.43 -17.51 63.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.604 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.22 -29.82 34.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.995 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -73.7 -50.43 20.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.099 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.99 61.43 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.64 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.09 -34.57 73.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.63 -0.137 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -58.16 8.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.211 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.7 -33.15 75.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 ttm -65.23 -56.45 12.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.013 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.439 HD13 ' HA3' ' A' ' 16' ' ' GLY . 27.1 mt -63.79 -43.85 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -61.14 -28.94 69.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 19.3 mm -91.64 -33.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.124 0.487 . . . . 0.0 111.014 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -66.19 -59.11 4.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.911 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.39 122.87 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.744 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -130.47 23.07 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.831 0.824 . . . . 0.0 108.968 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.72 92.61 9.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.44 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.73 -54.86 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.817 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.76 -26.74 21.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.675 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -117.57 -23.2 7.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 110.894 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.96 85.24 0.05 OUTLIER Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.61 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.49 134.71 45.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.153 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -111.39 112.07 23.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.785 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' A' ' 21' ' ' LEU . 18.6 mt -111.13 74.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -108.17 105.0 14.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.295 0.569 . . . . 0.0 111.548 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.1 94.49 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.419 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -99.09 88.3 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.021 0.439 . . . . 0.0 110.586 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.56 87.65 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.04 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.36 69.42 9.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mt -79.59 -77.4 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.317 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.67 -124.69 3.54 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.373 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -86.78 21.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.593 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.584 ' HB2' ' H ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -77.56 -27.74 51.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.174 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 58.32 77.9 0.27 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.98 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.2 tp -78.2 149.84 33.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.081 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -81.34 76.04 8.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -24.49 57.67 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.134 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.87 -28.89 70.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.096 0.474 . . . . 0.0 110.101 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -67.87 -37.88 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.475 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.727 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.3 mt-10 -83.87 -37.57 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -59.75 -41.71 91.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.383 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -61.78 -27.65 68.9 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.4 pp -92.29 -26.62 18.04 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.638 -0.425 . . . . 0.0 109.964 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -76.11 -21.89 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.233 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.36 -30.49 29.02 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.079 0.552 . . . . 0.0 112.128 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.2 -31.15 4.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.016 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -57.81 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 m -69.84 -11.5 60.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.379 . . . . 0.0 111.405 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -151.54 47.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 4.2 pttm -69.35 86.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.819 0.819 . . . . 0.0 112.199 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.93 -32.45 23.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.252 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.588 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -83.25 170.39 14.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.374 -178.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -80.58 70.41 7.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.516 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -97.7 120.8 47.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.19 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -147.79 122.18 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 m -114.91 140.96 48.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -146.76 137.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.542 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -132.21 -171.38 2.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.724 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.327 -0.375 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.556 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -140.47 131.99 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -136.01 130.06 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.1 mt -130.13 97.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 110.091 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.81 80.97 2.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.42 25.61 11.03 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.216 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.83 127.51 53.47 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.721 -0.282 . . . . 0.0 110.869 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm 60.21 41.03 17.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.472 0.482 . . . . 0.0 111.528 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.79 -165.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.21 -88.43 0.2 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.7 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.667 ' HB3' HG23 ' A' ' 55' ' ' ILE . 48.0 tp -174.06 89.52 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.8 0.333 . . . . 0.0 110.309 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -100.12 103.93 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD12 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -126.25 152.57 45.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.985 0.422 . . . . 0.0 110.963 -179.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -148.8 133.27 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.138 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.6 tp -127.6 148.77 50.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.18 75.91 1.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.158 0.286 . . . . 0.0 110.575 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 35.9 t0 -156.35 159.59 38.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.533 0.206 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.36 152.15 41.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.989 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.0 m 65.26 20.06 11.82 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.953 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.9 m -120.54 177.43 5.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.867 0.365 . . . . 0.0 110.524 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -101.48 115.81 31.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.577 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -109.62 24.85 12.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -177.129 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HG3' HD22 ' A' ' 34' ' ' LEU . 4.2 pt-20 -60.98 -22.17 64.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.527 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 33' ' ' GLU . 3.5 mm? -67.02 -35.43 79.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.162 0.506 . . . . 0.0 109.724 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD11 HD12 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -77.05 -46.53 23.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.71 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -57.68 -40.08 78.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.363 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.43 91.06 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.323 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.8 mm? -70.61 -29.96 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.333 . . . . 0.0 110.347 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -49.85 76.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.45 HD22 HD13 ' A' ' 74' ' ' LEU . 20.3 t-20 -74.33 -36.33 63.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.385 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -65.06 -51.94 58.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.52 -37.45 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 p -61.28 -40.31 93.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.38 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.2 mt -79.11 -29.86 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.89 -59.5 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.453 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.91 116.82 7.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -136.81 23.37 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.466 0.65 . . . . 0.0 109.585 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.18 112.18 23.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.696 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -127.63 145.96 50.71 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.99 -28.77 36.4 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.279 -0.486 . . . . 0.0 111.912 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -77.92 -56.82 4.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.336 0.589 . . . . 0.0 109.977 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.68 93.51 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 103.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.411 0.624 . . . . 0.0 111.81 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -91.77 104.0 16.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.419 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.667 HG23 ' HB3' ' A' ' 21' ' ' LEU . 24.1 mt -103.2 86.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.308 0.575 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -105.99 105.25 15.2 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.043 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 23' ' ' LEU . 15.5 t -102.58 86.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.449 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -109.3 100.54 9.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.162 0.506 . . . . 0.0 110.446 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.48 93.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 3.9 mtpm? -81.46 89.96 6.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 23.6 mt -92.2 -84.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.85 -78.53 0.33 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -123.5 9.81 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.577 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -68.8 -28.84 67.12 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.912 -179.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 t80 60.21 88.33 0.08 Allowed 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.788 0.68 . . . . 0.0 110.907 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 tp -73.45 144.98 46.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -82.06 85.71 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -54.72 -36.49 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -58.74 -27.67 65.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 20.8 mt-30 -78.58 -48.89 14.27 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.562 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 21.1 mm-40 -65.73 -30.75 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.28 -46.7 79.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.184 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 17.6 pt20 -62.43 -31.75 72.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -90.37 -34.1 15.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.444 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.9 m -65.45 -31.2 72.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.756 0.312 . . . . 0.0 110.389 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.49 -20.98 59.39 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.075 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.73 -37.69 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.079 0.466 . . . . 0.0 110.695 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.69 -25.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.001 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.58 62.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.512 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -16.5 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.655 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -147.71 43.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 110.29 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -77.76 46.67 0.57 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.407 0.622 . . . . 0.0 111.981 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.659 0.742 . . . . 0.0 109.21 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -69.03 174.27 4.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.289 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.19 70.73 10.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 8.4 p -98.82 132.91 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.918 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -147.53 98.98 3.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.807 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -102.24 134.74 45.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tt -160.52 124.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.228 0.537 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -114.41 176.88 4.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.765 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 60' ' ' LYS . 6.8 m . . . . . 0 C--N 1.321 -0.666 0 CA-C-O 120.792 0.329 . . . . 0.0 110.561 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.234 0.261 0 CA-C-O 120.562 0.22 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.74 129.27 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -151.27 139.92 20.7 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.576 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.45 121.57 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.94 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.153 0.501 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.01 48.33 0.59 Allowed Glycine 0 CA--C 1.507 -0.451 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 p -104.17 -70.97 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.68 28.03 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.972 0.415 . . . . 0.0 111.347 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -153.82 -152.4 0.41 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.44 -96.94 0.9 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.266 -0.969 . . . . 0.0 111.754 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.634 ' HB3' HG23 ' A' ' 55' ' ' ILE . 23.1 tp -152.64 98.63 2.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.074 0.464 . . . . 0.0 110.192 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -118.43 112.94 20.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.956 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -138.36 150.37 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 -178.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -141.52 108.62 5.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.112 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -107.12 128.67 54.6 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.45 106.56 9.28 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.944 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -163.23 -160.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -153.94 131.65 11.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.377 -0.202 . . . . 0.0 110.776 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 m 65.73 15.7 10.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.646 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -97.61 143.78 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.766 0.317 . . . . 0.0 110.235 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.67 149.6 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.507 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 5.9 m-20 -77.81 24.41 0.22 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.622 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.11 -36.91 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.7 mt -96.72 9.94 40.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.966 0.412 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.586 HD12 HD23 ' A' ' 25' ' ' LEU . 3.8 tt -113.68 -55.48 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 31.2 t0 -58.75 -35.87 73.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.546 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.13 -38.11 60.41 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.781 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.58 -35.88 13.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.338 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 36' ' ' ASP . 5.0 tt0 -55.79 -56.6 18.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.65 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 24.2 t-20 -61.92 -46.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.3 ttm -57.35 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.424 -178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.88 -37.15 86.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.9 m -60.63 -27.97 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.998 0.428 . . . . 0.0 111.577 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 40' ' ' ASN . 3.6 mt -109.66 22.54 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.627 0.727 . . . . 0.0 109.819 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -124.03 -61.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.171 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.39 108.38 4.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.93 25.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.257 0.551 . . . . 0.0 110.183 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.46 88.63 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -47.62 11.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.03 -30.9 6.81 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.013 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.582 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -93.38 -37.98 11.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.889 0.344 . . . . 0.0 110.532 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.44 74.28 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.918 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -69.69 123.19 20.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.39 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -106.32 127.23 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 21' ' ' LEU . 60.7 mt -117.06 91.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 m -125.51 117.13 22.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.032 0.444 . . . . 0.0 111.137 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -100.82 101.99 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.351 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.11 86.17 3.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.299 0.571 . . . . 0.0 109.747 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.49 93.52 3.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.993 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -98.0 61.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.516 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' ALA . 96.6 mt -99.95 -2.08 35.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.327 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.9 -123.97 31.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.041 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.78 59.5 3.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.451 0.643 . . . . 0.0 110.777 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HD2' ' OD1' ' A' ' 32' ' ' ASP . 14.9 ptt180 -63.53 -20.42 65.6 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.344 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 57.39 41.26 26.62 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.736 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' OD1' ' A' ' 32' ' ' ASP . 2.2 tp -102.72 152.4 21.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.27 98.26 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.214 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -35.85 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.88 -28.34 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.236 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -65.16 -41.61 94.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.198 0.523 . . . . 0.0 109.797 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 23.3 mt-10 -69.63 -37.22 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.602 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -62.32 -48.48 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.685 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -59.94 -29.89 68.7 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.6 pp -87.43 -33.06 19.2 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -68.81 -32.28 71.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 36.8 mm-40 -58.23 -23.42 55.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.0 -33.86 76.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.316 0.579 . . . . 0.0 110.009 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.24 -16.7 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.313 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -63.69 -18.46 64.02 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.867 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -74.12 -27.14 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.189 0.518 . . . . 0.0 110.042 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -121.03 40.84 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.162 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 16.0 pttm -77.75 53.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.652 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -82.26 -22.66 35.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 109.563 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.04 170.09 16.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.206 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.08 80.64 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 110.927 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -100.42 124.9 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.553 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -147.75 104.82 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.35 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m -117.18 127.75 54.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.298 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 tt -148.25 124.8 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.288 0.566 . . . . 0.0 110.706 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.47 160.84 16.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.186 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 p -137.29 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.936 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -150.69 144.75 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.212 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.2 mt -136.33 99.58 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.123 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.4 83.45 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.443 . . . . 0.0 110.383 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.498 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -127.32 88.34 0.34 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.615 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -162.29 -63.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 110.606 -179.548 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 17' ' ' THR . 31.9 mmtm -121.84 52.99 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -172.07 -166.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.822 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -89.81 0.64 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.047 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB3' HG23 ' A' ' 55' ' ' ILE . 14.8 tp -160.1 89.07 0.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.506 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.46 96.63 6.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -119.13 146.98 44.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -142.58 125.94 16.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.264 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -125.96 121.92 34.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.47 69.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -139.18 133.82 31.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.086 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.69 159.1 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.59 0.233 . . . . 0.0 111.277 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m 56.42 49.53 14.8 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.912 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -162.39 -171.72 2.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -130.56 166.79 19.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -173.53 96.95 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.79 6.56 38.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.84 -38.32 12.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.93 -53.78 54.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.621 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.69 -32.77 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.944 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.54 -49.2 75.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.593 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.0 -41.89 81.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.199 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.86 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.298 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -68.01 -39.94 83.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.407 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.7 mmm -65.94 -48.93 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.894 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.498 HD13 ' HA3' ' A' ' 16' ' ' GLY . 53.4 mt -57.39 -42.83 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -61.17 -36.36 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 111.075 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -80.71 -28.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.001 0.429 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.33 -71.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.42 101.25 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.88 -5.16 38.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 109.696 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.56 103.98 16.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.811 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -107.6 -172.5 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.886 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.2 27.23 7.83 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.242 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -55.34 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.394 . . . . 0.0 110.753 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.08 91.54 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -54.52 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.755 0.788 . . . . 0.0 112.743 -178.579 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -91.04 91.57 8.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.163 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.578 HG23 ' HB3' ' A' ' 21' ' ' LEU . 32.3 mt -91.93 64.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -108.91 96.86 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.532 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.1 96.99 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -110.22 96.63 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.59 149.48 13.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.264 0.554 . . . . 0.0 111.068 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' OG ' ' A' ' 91' ' ' SER . 3.8 ttmt -120.43 68.63 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 64' ' ' ARG . 19.5 mt -85.07 -29.32 25.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.205 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.581 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 68.21 -101.31 0.73 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.905 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -109.18 17.61 21.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.106 0.479 . . . . 0.0 110.264 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.7 ttt180 -60.19 -33.75 72.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.441 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.2 t80 61.73 85.23 0.12 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.482 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.72 158.69 15.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.314 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -75.68 75.16 2.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.177 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -54.25 -30.3 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.016 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.08 -41.07 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.8 mm100 -68.73 -44.14 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 mt-10 -65.61 -41.56 92.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.12 -46.34 84.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.534 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.1 pt20 -64.3 -32.2 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.5 pp -83.83 -31.2 25.95 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.93 -0.481 . . . . 0.0 110.756 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -67.72 -30.97 70.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.48 -30.14 39.54 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.27 -36.91 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.23 -18.36 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -62.29 -34.66 77.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.399 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -68.91 -17.32 63.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.283 0.563 . . . . 0.0 111.21 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -134.14 41.2 2.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.579 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -75.58 55.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.481 -179.159 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.43 -16.97 37.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.456 ' H ' HD22 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -79.62 172.26 14.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.43 179.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -83.87 74.12 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -97.56 137.41 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -159.19 88.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.607 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.71 130.92 39.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -157.81 149.19 9.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 111.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -130.19 152.69 49.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.581 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 2.1 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.047 0.451 . . . . 0.0 109.96 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.709 0.29 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.08 142.12 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 t -155.46 142.62 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -132.97 135.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.069 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -129.79 93.05 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.316 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.583 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -138.04 72.94 0.43 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.796 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -142.98 -70.27 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.866 0.365 . . . . 0.0 110.194 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.52 ' H ' HG23 ' A' ' 17' ' ' THR . 13.6 ttpp -101.99 27.88 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 109.128 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.84 -171.74 4.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.802 -178.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -104.76 0.18 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.566 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.677 ' HB3' HG23 ' A' ' 55' ' ' ILE . 45.8 tp -144.87 86.67 1.8 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.202 0.525 . . . . 0.0 110.5 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.402 HG23 ' OG ' ' A' ' 56' ' ' SER . 7.2 m -105.65 111.72 24.51 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.084 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.32 142.44 50.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.064 0.459 . . . . 0.0 110.637 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -131.13 121.17 24.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.781 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD13 ' H ' ' A' ' 27' ' ' ASP . 1.7 tm? -129.25 120.76 26.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.15 38.47 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 110.617 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.582 ' H ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.2 123.58 47.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.406 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.11 133.31 45.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.934 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.6 m 56.74 42.3 26.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.683 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -125.32 179.35 5.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.711 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -80.14 107.26 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.442 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -86.78 -2.22 58.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.667 -179.223 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.0 -39.89 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.829 0.347 . . . . 0.0 111.255 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.66 -18.37 65.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.267 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tp -92.56 -52.15 4.78 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.184 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -40.19 78.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.598 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.18 -55.27 25.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.505 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.62 -37.6 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.638 0.256 . . . . 0.0 110.493 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.24 -55.44 31.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.809 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.1 -42.1 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.089 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.3 tpp -59.09 -57.08 14.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.205 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.583 HD13 ' HA3' ' A' ' 16' ' ' GLY . 63.0 mt -65.25 -28.44 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -64.95 -14.51 60.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.714 0.292 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -118.21 -35.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 110.281 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.14 -52.13 60.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.637 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.4 106.7 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.563 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -138.26 24.75 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.279 0.561 . . . . 0.0 110.398 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -132.78 93.6 3.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -88.61 -40.35 13.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.25 61.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.112 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.73 26.6 15.71 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.666 0.387 . . . . 0.0 111.981 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.31 30.8 1.44 Allowed Glycine 0 CA--C 1.507 -0.456 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.351 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.18 17.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.926 0.393 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -98.69 113.31 25.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' A' ' 21' ' ' LEU . 45.0 mt -107.84 75.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.508 0.671 . . . . 0.0 109.352 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.402 ' OG ' HG23 ' A' ' 22' ' ' THR . 11.2 p -98.21 104.56 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.043 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.65 94.27 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.716 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -96.62 78.71 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.499 . . . . 0.0 110.252 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -93.62 91.3 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.984 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -95.57 62.26 2.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 32' ' ' ASP . 17.1 mt -75.04 -9.59 58.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.092 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.458 ' H ' ' HB2' ' A' ' 91' ' ' SER . . . 63.96 -135.9 40.67 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.472 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -86.65 34.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -31.47 72.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 t80 62.42 84.81 0.13 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.89 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.6 tp -115.3 158.92 21.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.431 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -74.01 81.53 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.0 110.282 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -54.37 -41.58 69.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.934 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.46 -42.81 88.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.596 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 16.7 mt-30 -68.81 -33.39 73.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.583 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.39 -29.75 42.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.54 0.686 . . . . 0.0 109.782 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 19.6 tt0 -75.09 -40.92 59.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.056 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.9 pt20 -56.39 -39.08 72.38 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.98 -31.22 62.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.282 0.563 . . . . 0.0 109.508 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.5 m -71.32 -28.8 64.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 49.4 mt-10 -55.97 -26.55 48.71 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.39 -42.56 91.99 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -91.17 -30.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.002 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -62.76 -32.48 73.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.4 m -66.4 -14.57 62.34 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.32 45.57 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -72.56 58.46 0.42 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.506 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -82.04 -10.8 59.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.381 0.61 . . . . 0.0 110.178 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.31 171.19 9.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.546 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -80.99 75.64 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.407 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.34 130.76 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -143.8 101.59 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -98.27 130.17 44.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 tt -141.13 118.74 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.227 0.537 . . . . 0.0 110.828 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.419 ' HA ' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -101.52 175.95 5.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.968 179.541 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.458 ' HB2' ' H ' ' A' ' 62' ' ' GLY . 74.8 m . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 120.593 0.235 . . . . 0.0 111.159 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.526 0.203 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.83 139.52 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.914 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 24' ' ' HIS . 1.7 t -157.85 127.48 5.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.386 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mt -127.41 142.21 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.722 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -148.75 161.13 42.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.568 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.75 -37.02 0.18 Allowed Glycine 0 C--O 1.223 -0.538 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.119 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -53.52 -18.64 2.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.62 32.35 5.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.116 -0.365 . . . . 0.0 111.223 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.444 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 8.4 t-20 -177.72 -141.85 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.157 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.01 -74.55 1.12 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' ILE . 18.5 tp -157.74 109.99 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.842 0.353 . . . . 0.0 110.096 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.68 100.76 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.54 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.9 pt? -129.14 137.84 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 111.27 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.466 ' HB3' HG23 ' A' ' 13' ' ' THR . 11.6 t60 -138.95 124.98 19.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.567 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -131.89 128.13 37.93 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.654 0.264 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -116.64 105.38 12.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.123 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.8 t70 -165.8 -168.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.65 137.32 7.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.62 0.248 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.6 m 66.04 11.18 7.58 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.173 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -103.51 157.15 17.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.871 0.367 . . . . 0.0 110.751 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -81.93 139.29 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.7 p30 -99.1 19.56 15.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.473 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 34' ' ' LEU . 6.3 pt-20 -59.29 -38.58 80.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 110.862 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 tp -68.5 -22.81 64.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.38 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 tp -85.06 -41.67 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.16 -38.24 82.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.544 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.34 49.96 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.03 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.4 mm? -76.3 -40.96 50.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.499 ' HG3' HD21 ' A' ' 21' ' ' LEU . 22.5 tt0 -55.65 -48.95 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.42 HD21 HD22 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -67.5 -48.41 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.159 -179.537 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.0 ttt -59.72 -55.66 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.47 -44.95 89.51 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.2 m -59.01 -29.61 67.38 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mt -96.91 -26.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.069 0.461 . . . . 0.0 111.034 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.37 -59.31 2.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.911 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -149.91 91.43 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.981 0.419 . . . . 0.0 111.359 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -101.38 -7.21 23.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.383 0.611 . . . . 0.0 110.015 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.85 126.2 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.138 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' OD1' ' HA ' ' A' ' 19' ' ' ASN . 16.2 t70 -104.6 -54.1 2.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.03 0.443 . . . . 0.0 110.012 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.3 -28.61 11.45 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.422 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -47.88 3.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.79 79.88 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.385 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -66.94 120.11 13.05 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.327 0.584 . . . . 0.0 111.292 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -110.96 132.9 53.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.969 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 21' ' ' LEU . 39.8 mt -112.77 76.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -96.64 109.09 21.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.535 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' A' ' 88' ' ' SER . 12.7 t -101.65 97.14 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -109.39 100.79 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.335 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.52 118.59 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.931 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -105.02 34.07 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 110.52 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 90.8 mt -70.76 -27.98 64.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.473 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.616 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 76.33 -83.29 0.99 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.132 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -106.8 52.23 0.72 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.0 111.336 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 13.7 ptt180 -68.46 -26.84 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.3 t80 55.73 39.3 30.8 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.627 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.6 tp -87.02 142.7 27.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.05 106.07 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -21.15 63.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.405 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.74 -35.18 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 4.3 mm100 -66.97 -41.06 87.49 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 13.1 mm-40 -74.58 -38.7 62.58 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -52.66 64.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.225 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.6 pp0? -56.39 -32.39 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.8 pp -88.26 -31.5 18.99 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -69.14 -29.05 67.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.797 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 72' ' ' GLU . 95.5 mt-10 -51.03 -34.24 28.66 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.807 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.4 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.27 -30.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.999 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.13 71.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.741 0.305 . . . . 0.0 111.666 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 m -70.42 -5.46 28.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -154.23 46.9 0.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -79.33 61.23 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.49 0.662 . . . . 0.0 112.129 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.324 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.537 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -74.98 160.49 30.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.794 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.31 78.93 4.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.483 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.99 143.6 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.161 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -159.46 97.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.432 ' HA ' ' HB ' ' A' ' 57' ' ' VAL . 1.4 m -105.29 125.47 51.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.253 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.9 tt -154.91 132.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.433 0.635 . . . . 0.0 111.754 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.99 143.9 51.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.616 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.6 m . . . . . 0 C--N 1.323 -0.58 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.0 p90 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -149.41 151.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.417 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -149.76 140.11 22.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -132.84 110.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.334 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -106.94 94.11 4.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -136.65 70.04 0.5 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -144.82 122.39 11.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.712 0.292 . . . . 0.0 110.952 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 56.63 29.0 14.9 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.444 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 49' ' ' ASP . 4.6 t-20 -159.6 -148.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -90.68 -115.22 1.77 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.961 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HB3' HG23 ' A' ' 55' ' ' ILE . 49.9 tp -153.57 96.83 2.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.207 0.527 . . . . 0.0 110.297 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -112.95 99.64 8.03 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.541 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.6 pt? -130.68 154.39 47.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.56 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -154.35 128.69 9.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.275 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 tp -114.93 140.18 49.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.706 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.67 83.55 2.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.171 0.51 . . . . 0.0 109.662 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.74 126.39 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.385 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.62 150.43 23.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.524 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.8 m 73.26 -2.85 2.61 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.432 0.693 . . . . 0.0 112.79 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -110.05 150.39 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.214 -0.304 . . . . 0.0 110.472 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -88.11 136.41 32.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.693 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 11.7 p-10 -89.56 51.93 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.387 0.613 . . . . 0.0 111.189 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.29 -24.12 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.586 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.16 -1.77 56.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.105 0.478 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 7.2 tp -101.91 -48.98 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.168 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -36.7 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 41' ' ' MET . . . -61.59 -48.31 85.34 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.186 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.9 -40.82 83.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.0 110.296 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -51.58 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.567 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.73 -40.35 66.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.481 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 2.6 tmm? -59.78 -51.96 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.269 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 16' ' ' GLY . 90.2 mt -66.58 -37.62 85.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -68.17 -14.14 62.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.934 0.397 . . . . 0.0 111.886 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -105.94 -34.51 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.017 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.69 -69.47 0.46 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.53 116.43 5.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.056 0.455 . . . . 0.0 111.063 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.79 8.8 4.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.288 0.566 . . . . 0.0 109.722 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.497 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 3.2 m -100.21 89.96 4.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' HA ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -72.87 -43.64 62.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.135 179.543 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.41 -8.14 32.56 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.806 -0.712 . . . . 0.0 114.088 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 2.9 mppt? -135.68 25.68 3.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.157 0.978 . . . . 0.0 112.041 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.76 83.9 1.75 Allowed Glycine 0 C--N 1.315 -0.597 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' NE2' ' HA ' ' A' ' 48' ' ' THR . 1.5 pm0 -77.55 139.22 39.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.045 0.45 . . . . 0.0 111.24 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 85.9 tttt -104.89 107.54 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.677 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.659 HG23 ' HB3' ' A' ' 21' ' ' LEU . 10.0 mt -107.13 64.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.29 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -95.62 100.36 12.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.156 0.503 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 88' ' ' SER . 49.1 t -88.4 97.57 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.389 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 64.3 m170 -99.82 92.22 5.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -95.79 80.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.467 0.651 . . . . 0.0 110.587 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -85.36 69.69 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.121 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.2 -79.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.1 0.476 . . . . 0.0 110.312 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.77 -105.2 0.34 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.113 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -100.72 25.58 7.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.845 0.355 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -72.08 -33.15 67.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 57.22 62.42 2.2 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.809 0.693 . . . . 0.0 110.2 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.54 156.19 37.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.014 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -72.93 86.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.098 0.475 . . . . 0.0 110.453 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -45.57 71.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.798 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -54.23 -37.09 64.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.671 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.598 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 11.5 mt-30 -66.43 -45.62 79.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.855 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.0 mm-40 -73.27 -33.32 65.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.181 0.515 . . . . 0.0 109.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -65.28 -48.69 72.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.3 pp0? -58.16 -32.78 68.52 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.6 pp -82.64 -32.72 28.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.317 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -73.65 -27.75 61.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.289 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -49.18 -36.97 21.07 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.978 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.75 -52.18 66.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.116 0.484 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mp -75.88 -30.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.964 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.71 -24.27 65.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.98 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.7 m -65.81 -30.31 70.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 0.0 110.754 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -137.26 48.52 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -72.21 78.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.68 -3.98 57.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.852 0.834 . . . . 0.0 109.336 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.496 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.19 172.07 8.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.034 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 77.6 m-85 -85.99 67.64 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -99.62 124.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.289 0.566 . . . . 0.0 111.552 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -155.26 126.1 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.269 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 11.0 m -117.58 140.78 49.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.663 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.1 tt -147.5 135.86 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -111.66 -171.85 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.326 -0.433 0 O-C-N 122.089 -0.382 . . . . 0.0 111.616 -179.281 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 120.505 0.193 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.83 137.07 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.003 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 t -155.49 141.82 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mt -136.57 121.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.1 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.02 100.35 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.45 29.61 4.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.211 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 t -121.57 139.53 53.39 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mttt 56.28 34.41 23.99 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -175.13 -139.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.229 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.558 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -104.11 -101.21 2.65 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.934 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 39' ' ' GLN . 61.8 tp -160.08 97.41 1.26 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.082 0.467 . . . . 0.0 110.694 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -111.48 114.84 28.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.682 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -133.87 149.6 51.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.401 -179.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 12.5 t-160 -158.6 126.52 5.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.563 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.8 tp -126.95 131.99 50.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -112.45 81.18 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.89 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -151.19 123.7 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.15 142.61 27.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.3 m 56.27 66.82 1.1 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.728 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 172.68 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -112.01 100.8 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.4 0.619 . . . . 0.0 109.468 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.29 45.05 0.82 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.503 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -58.21 -36.42 73.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.361 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.94 -33.46 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' HG ' HD12 ' A' ' 23' ' ' LEU . 11.0 tp -70.68 -47.92 57.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.97 -40.03 96.48 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.44 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.87 -48.1 87.74 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.783 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.28 -36.86 85.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.046 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -57.76 -48.04 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.237 179.119 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -67.98 -45.67 73.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ttt -57.46 -55.51 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.97 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.69 -37.92 85.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 t -60.95 -35.61 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.079 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.56 -35.62 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.1 -68.02 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.174 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.57 129.47 6.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 0.0 111.606 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -132.83 12.15 4.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.611 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.44 88.33 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.662 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.4 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -36.2 2.27 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.79 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 28.74 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.224 0.535 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.83 114.81 3.77 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.879 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.558 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 1.6 pm0 -104.1 147.19 27.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.233 0.54 . . . . 0.0 111.322 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -103.7 104.62 14.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.115 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 18.3 mt -102.32 67.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.798 0.809 . . . . 0.0 108.902 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 m -98.28 99.83 11.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.665 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 88' ' ' SER . 18.8 t -86.84 91.07 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.547 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 13.4 m-70 -97.03 81.83 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.873 0.368 . . . . 0.0 111.338 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.12 73.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.662 0.744 . . . . 0.0 109.964 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.452 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.8 mtpt -79.73 59.44 3.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.561 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.2 mp -80.38 -78.09 0.18 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 119.73 95.86 1.6 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.245 -0.979 . . . . 0.0 112.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 61.96 47.03 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.448 0.642 . . . . 0.0 110.357 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.508 ' NH1' HD22 ' A' ' 66' ' ' LEU . 20.9 ptt180 -83.34 -32.64 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.0 t80 52.95 61.95 2.93 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.685 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD22 ' NH1' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -89.31 -169.28 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.166 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.62 80.95 8.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.272 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -59.47 -32.22 70.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -58.87 -43.7 90.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.411 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 20.3 mt-30 -66.58 -41.09 89.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 35.1 mt-10 -63.4 -49.94 71.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.642 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.2 -44.74 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp0? -59.87 -38.7 82.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -33.86 58.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.926 0.393 . . . . 0.0 110.128 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -68.49 -32.52 72.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.787 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.94 -34.16 69.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.485 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.33 -29.28 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 110.947 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.5 mt -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.27 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -12.38 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.365 0.602 . . . . 0.0 110.422 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -149.12 45.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.951 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.65 59.52 0.46 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.348 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.15 -11.96 51.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.67 0.747 . . . . 0.0 109.397 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -84.0 170.05 14.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.156 179.707 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -89.49 72.72 7.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.345 0.593 . . . . 0.0 110.259 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.7 p -98.79 136.12 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.624 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.23 109.95 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -101.27 150.12 23.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 179.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.0 tt -150.71 129.81 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.82 171.83 7.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.42 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.497 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 50.8 m . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 121.322 0.582 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.08 135.6 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.83 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -148.29 135.52 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.74 133.22 69.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -135.85 106.58 6.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.118 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.665 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -146.09 67.84 0.4 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.374 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -148.55 125.23 11.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 58.55 33.51 23.16 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.25 -159.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.851 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -97.99 0.92 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.919 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.823 ' HB3' HG23 ' A' ' 55' ' ' ILE . 43.8 tp -164.37 104.57 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.359 . . . . 0.0 110.124 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -122.4 115.1 21.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.097 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.437 HD21 ' HG2' ' A' ' 39' ' ' GLN . 2.8 pp -149.81 166.26 30.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.914 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.561 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 16.5 p80 -162.61 137.77 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.457 178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -124.64 120.97 33.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.93 83.73 1.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.776 0.322 . . . . 0.0 110.732 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -163.28 124.77 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.532 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.76 157.82 17.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.88 0.372 . . . . 0.0 111.803 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.0 m 58.5 56.4 4.34 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.982 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.74 167.78 26.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.13 111.75 23.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.048 0.451 . . . . 0.0 110.041 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.45 45.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.534 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -63.33 -44.68 94.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.67 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.44 -35.24 79.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.392 . . . . 0.0 110.461 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 19.9 tp -63.41 -47.88 80.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.761 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.55 ' HA ' ' NE2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -58.89 -39.56 81.83 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.708 179.218 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.26 97.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.773 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.29 -42.88 92.67 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.55 ' NE2' ' HA ' ' A' ' 36' ' ' ASP . 18.9 mt-30 -54.12 -50.57 66.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.628 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -64.47 -54.05 38.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.668 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 ttm -55.29 -50.02 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.665 HD13 ' HA3' ' A' ' 16' ' ' GLY . 95.1 mt -61.88 -41.61 98.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 m -62.94 -37.69 88.06 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.514 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.48 -21.76 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.322 0.582 . . . . 0.0 110.45 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.98 -51.73 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.78 155.76 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -153.61 -31.64 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.08 90.59 7.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.674 0.273 . . . . 0.0 110.506 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -66.93 -52.37 43.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.86 -11.24 7.85 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.557 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -151.73 28.82 0.61 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.157 0.979 . . . . 0.0 112.255 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.7 92.96 2.14 Favored Glycine 0 C--N 1.319 -0.361 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.213 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -80.8 137.4 36.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.414 0.626 . . . . 0.0 111.8 -179.068 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 81.1 tttt -108.52 112.55 24.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.547 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.823 HG23 ' HB3' ' A' ' 21' ' ' LEU . 17.7 mt -107.93 63.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.714 0.768 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -89.02 92.47 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 88' ' ' SER . 47.1 t -86.39 93.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.635 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 40.1 m170 -107.87 112.6 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.577 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -108.39 117.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.823 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.1 mtpt -112.26 48.11 1.01 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mp -76.38 -77.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.38 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 107.47 122.25 4.81 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.301 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 p30 44.22 39.73 3.15 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 112.18 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -24.87 62.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 110.201 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 57.17 31.81 20.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.364 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.9 155.06 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.828 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 80.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.067 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -50.48 -26.26 4.93 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.986 0.914 . . . . 0.0 112.904 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.63 -20.94 66.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 2.7 tt0 -65.97 -48.9 69.73 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 0.0 111.748 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 mp0 -71.23 -31.16 67.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -46.42 77.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.061 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp0? -59.31 -26.24 64.83 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.3 pp -91.88 -34.26 14.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.536 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.3 m -71.09 -29.8 65.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.17 -24.24 66.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 77' ' ' LEU . 3.2 mm? -72.41 -21.6 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 0.0 110.191 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.0 -20.4 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.59 -22.26 66.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.635 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.68 62.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 110.194 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 46.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.122 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -70.67 68.08 0.39 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.547 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -94.68 -10.67 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.688 0.756 . . . . 0.0 109.385 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.578 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -80.05 161.27 25.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.196 -179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.458 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 35.5 m-85 -82.75 62.61 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.2 p -90.01 140.3 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.007 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 106.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.606 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.629 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -98.98 150.22 22.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 tt -163.73 142.13 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 50.1 t0 -130.89 167.71 18.52 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.6 m . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 120.94 0.4 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 p90 . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.84 144.06 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.656 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -157.05 130.12 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.9 mt -117.03 125.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -121.25 102.93 8.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.945 0.402 . . . . 0.0 110.452 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.76 48.36 0.97 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.05 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -127.95 132.82 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.48 43.48 30.27 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.233 0.54 . . . . 0.0 110.366 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.27 -146.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.867 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.12 -90.88 2.2 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.825 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.62 ' HB3' HG23 ' A' ' 55' ' ' ILE . 57.8 tp -161.52 100.07 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.949 0.404 . . . . 0.0 110.62 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 114.2 23.22 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.882 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 57' ' ' VAL . 3.6 pp -142.6 165.72 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.671 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 47.0 p-80 -161.19 142.96 11.91 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.156 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.2 143.88 48.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.74 91.79 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.283 0.364 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -171.56 118.08 0.43 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.334 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.9 151.64 23.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.2 m 59.08 48.55 10.5 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.109 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -138.47 147.26 43.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.288 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -91.86 99.36 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.166 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.29 39.03 0.44 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.9 -23.08 64.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.04 -24.85 62.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.746 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.16 -30.42 67.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.99 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -61.83 -35.95 79.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.984 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.83 -53.15 41.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.472 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.58 -42.73 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.22 -48.83 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -66.66 -51.11 59.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.221 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.48 -44.87 89.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.188 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 53.3 mt -63.94 -35.34 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -34.16 76.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.156 0.503 . . . . 0.0 110.394 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -84.77 -34.09 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.02 -67.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.228 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 136.73 16.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.002 0.43 . . . . 0.0 111.522 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -128.38 -13.65 4.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.22 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -96.86 87.02 4.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.448 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -49.92 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 110.303 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.96 -55.58 0.52 Allowed Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.345 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -140.58 25.6 2.18 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.66 109.86 0.6 Allowed Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.746 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -112.63 135.71 53.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 37.8 ttmt -113.92 117.13 30.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.264 0.554 . . . . 0.0 111.183 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 21' ' ' LEU . 2.7 mp -111.7 65.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.953 0.882 . . . . 0.0 109.485 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 54.1 m -93.39 84.89 4.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.818 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 88' ' ' SER . 48.0 t -80.38 98.11 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.869 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.671 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 30.5 m170 -105.67 103.6 13.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.204 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.713 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -103.68 100.74 11.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.136 0.493 . . . . 0.0 110.078 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -96.4 60.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.376 0.608 . . . . 0.0 110.676 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mp -91.1 -68.79 0.77 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 91' ' ' SER . . . 100.27 116.2 3.9 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 p30 45.26 45.55 9.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.723 0.773 . . . . 0.0 111.169 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -17.7 64.35 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.9 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 66.67 14.4 9.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.833 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.8 tp -78.21 149.03 33.75 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.5 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 10.8 m-85 -66.51 107.48 2.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.477 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -60.22 -41.29 92.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.58 -23.79 66.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.137 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 1.2 tt0 -64.49 -39.06 93.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.042 0.449 . . . . 0.0 109.794 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 2.2 mm-40 -71.53 -39.33 70.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.289 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HA ' HG22 ' A' ' 75' ' ' THR . 5.1 mm-40 -64.13 -48.38 76.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.524 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.4 pp0? -61.9 -29.9 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -84.19 -33.6 24.14 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.68 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 72' ' ' GLU . 5.2 t -79.64 -14.25 58.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.594 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.15 -35.81 76.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.99 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.0 mm? -62.89 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.063 0.458 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -100.52 -7.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.431 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.04 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.32 -5.14 45.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -154.88 39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.135 0.493 . . . . 0.0 110.546 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -79.22 65.91 4.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.272 0.558 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.43 19.59 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.059 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.02 179.03 4.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.716 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 73.6 m-85 -88.82 68.11 8.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.463 0.649 . . . . 0.0 109.669 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.0 p -97.05 139.1 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.252 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -161.72 109.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.386 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.641 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 22.3 t -115.05 146.86 40.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.176 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 tt -168.02 141.72 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 120.644 0.259 . . . . 0.0 110.859 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 15.8 t0 -124.35 168.86 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.412 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -76.06 126.19 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -148.22 120.73 8.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.002 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.0 tpp -71.36 133.03 45.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.589 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -109.57 146.44 34.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.169 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 -166.67 1.65 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.821 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -76.31 168.92 19.19 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.666 ' HB2' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -116.32 162.81 16.95 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.877 0.37 . . . . 0.0 110.727 -179.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -112.22 -52.75 2.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.77 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 10.9 mt-30 -131.13 103.54 6.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CD1' ' HB2' ' A' ' 8' ' ' LYS . 3.1 m-85 -125.19 165.08 18.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.044 0.45 . . . . 0.0 111.472 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -138.17 139.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.339 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 t -153.48 138.59 17.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.849 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 23' ' ' LEU . 46.6 mt -135.23 117.16 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.304 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 39.7 tttp -107.76 111.6 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.153 0.501 . . . . 0.0 111.277 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -155.04 67.23 0.31 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -111.73 -70.67 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.602 -0.299 . . . . 0.0 111.584 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' H ' HG23 ' A' ' 17' ' ' THR . 11.0 mtpt -117.77 17.2 14.35 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.622 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 2.5 m120 -128.42 -166.39 1.62 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.949 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.76 -97.54 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.148 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 55' ' ' ILE . 41.5 tp -161.96 99.95 1.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.061 0.458 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -115.79 106.04 13.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.022 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 14' ' ' ILE . 1.3 pt? -126.7 147.01 49.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.057 0.456 . . . . 0.0 110.969 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -140.52 113.94 8.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.248 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -108.34 128.71 54.99 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -122.3 78.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.708 0.29 . . . . 0.0 110.275 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -155.84 135.96 12.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.444 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 143.93 34.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.8 m 58.84 20.42 7.98 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.454 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m -116.73 152.92 33.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -77.08 146.86 37.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.003 0.43 . . . . 0.0 111.055 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -116.9 30.76 7.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.6 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.753 ' HG3' HD22 ' A' ' 34' ' ' LEU . 12.1 pt-20 -61.29 -28.4 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.753 HD22 ' HG3' ' A' ' 33' ' ' GLU . 1.8 mm? -85.47 -3.8 58.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.1 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 5.9 tp -103.87 -50.84 3.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.494 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.5 70.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.73 -53.82 40.42 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.426 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD22 HD12 ' A' ' 14' ' ' ILE . 7.1 mp -66.4 -35.94 81.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.474 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.67 -51.26 60.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.694 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.44 -42.26 62.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.13 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.2 ttt -56.37 -48.5 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.936 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.53 -41.58 79.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 m -60.55 -37.87 82.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 111.154 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.4 mt -79.14 -35.83 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.013 0.435 . . . . 0.0 110.25 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -65.63 -67.56 0.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.538 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.497 ' HG2' ' H ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -165.61 119.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.669 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -117.75 18.89 14.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.92 0.867 . . . . 0.0 108.703 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.497 ' H ' ' HG2' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -80.91 98.7 8.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.478 -1.237 . . . . 0.0 111.183 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -81.22 -52.08 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.86 -31.95 6.7 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.478 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -44.78 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.435 0.636 . . . . 0.0 110.266 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.61 86.53 0.07 OUTLIER Glycine 0 C--N 1.312 -0.784 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.256 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.43 113.13 1.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.26 0.552 . . . . 0.0 111.649 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -89.93 97.13 11.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.793 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 21' ' ' LEU . 6.8 mt -102.97 70.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.435 0.636 . . . . 0.0 109.604 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.8 m -106.58 102.21 11.61 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.303 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.77 94.22 4.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -102.05 92.4 4.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.159 0.505 . . . . 0.0 110.637 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -93.37 83.51 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.53 -179.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -83.13 68.73 9.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.41 0.624 . . . . 0.0 109.901 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 mt -80.02 -68.7 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.803 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.84 -121.1 3.85 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -85.69 22.19 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -31.33 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.1 t80 56.02 73.87 0.41 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.342 0.592 . . . . 0.0 110.554 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.4 tp -80.09 151.82 29.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.982 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -78.35 81.22 4.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.5 -27.59 68.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.858 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 11.5 mm100 -73.52 -36.89 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.997 0.427 . . . . 0.0 110.54 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.7 mm-40 -86.01 -31.75 21.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.383 0.611 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 40.9 tt0 -62.96 -41.07 99.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.191 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 10.3 pt20 -61.18 -36.41 79.77 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.452 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -79.57 -29.61 41.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.21 -31.86 72.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.301 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 6.1 mm-40 -54.08 -32.96 56.31 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.387 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.69 -34.85 79.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.148 0.499 . . . . 0.0 110.652 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -88.49 -27.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -60.84 -27.12 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.996 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -71.23 -13.08 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -143.12 39.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.36 0.6 . . . . 0.0 109.97 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 48.4 pttt -75.48 62.12 1.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.373 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.89 -11.94 37.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.759 0.79 . . . . 0.0 109.25 178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.443 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -86.6 175.17 8.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.74 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -84.94 73.65 10.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.903 0.382 . . . . 0.0 110.365 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.6 p -100.78 130.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.686 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -156.02 105.45 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -109.35 133.54 52.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.5 tt -157.77 135.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.455 . . . . 0.0 110.874 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.4 p-10 -110.51 -153.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.5 m -135.26 37.52 2.96 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 122.107 -0.371 . . . . 0.0 111.429 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.57 169.06 1.4 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.494 0.664 . . . . 0.0 112.293 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.87 117.25 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.074 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 6.6 tt -59.33 126.21 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.362 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.6 m -121.19 114.98 22.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -85.76 81.32 8.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.123 0.487 . . . . 0.0 109.835 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -136.29 145.42 45.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.494 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -82.39 81.17 8.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.165 0.507 . . . . 0.0 110.08 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.61 74.57 8.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.272 0.558 . . . . 0.0 109.636 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -71.45 122.39 20.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.651 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -85.77 81.55 8.54 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.334 0.587 . . . . 0.0 110.234 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 tp -125.14 114.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.007 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -123.0 125.47 45.31 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.602 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -107.35 13.87 26.6 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 . . . . . 0 C--O 1.245 0.838 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.533 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 112.046 -0.422 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.2 163.89 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.661 0.267 . . . . 0.0 111.291 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -96.31 171.32 8.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.304 0.574 . . . . 0.0 111.215 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.3 mtt -103.42 -174.83 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.604 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -71.4 138.74 49.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.57 168.17 14.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.698 0.285 . . . . 0.0 111.223 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -61.68 152.73 30.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.097 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.1 147.3 38.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.698 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -80.25 -51.1 9.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 16.7 pt20 -106.27 146.62 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.532 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -167.73 -171.93 1.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.09 136.71 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.064 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -155.67 143.46 19.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.905 0.383 . . . . 0.0 110.272 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.3 mt -134.79 117.06 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.88 105.8 15.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.966 0.412 . . . . 0.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.18 89.27 0.15 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -124.6 -82.69 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.996 0.427 . . . . 0.0 111.182 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -111.26 25.83 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.74 0.781 . . . . 0.0 109.684 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -130.53 -165.05 1.5 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.575 -1.193 . . . . 0.0 108.543 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.56 -87.58 0.39 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.381 178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HB3' HG23 ' A' ' 55' ' ' ILE . 37.9 tp -170.58 110.74 0.38 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.827 0.346 . . . . 0.0 110.617 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 90.36 3.32 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.78 144.84 34.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.02 0.438 . . . . 0.0 111.08 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -149.61 111.83 4.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.0 tp -116.83 125.08 51.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -122.12 81.12 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.633 0.254 . . . . 0.0 111.335 -178.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 31.3 t0 -154.52 145.58 22.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -107.5 144.63 34.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.6 m 68.09 -2.7 1.42 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 66.7 m -87.36 158.65 18.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.607 0.242 . . . . 0.0 110.575 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -85.82 139.85 30.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.952 0.406 . . . . 0.0 110.487 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -100.05 24.06 9.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.757 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -57.33 -37.23 72.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.05 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.8 mm? -76.77 -36.67 56.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.109 0.481 . . . . 0.0 109.815 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.9 tp -66.04 -54.9 20.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.735 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.17 -40.71 86.46 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.353 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.52 -50.28 61.01 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.875 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.02 -35.66 59.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.66 0.267 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -55.06 39.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -63.73 -37.05 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.87 -52.57 59.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.73 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.18 -36.66 82.23 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.8 m -58.49 -25.2 62.1 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mt -113.34 8.35 7.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.416 0.627 . . . . 0.0 110.288 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -108.87 -55.74 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.801 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.21 106.67 4.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.314 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.8 31.88 2.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.633 0.73 . . . . 0.0 109.437 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.4 121.74 45.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.698 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.464 ' HB3' ' N ' ' A' ' 53' ' ' GLN . 43.0 t0 -139.23 126.39 21.26 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.38 -11.79 76.37 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.325 -0.464 . . . . 0.0 112.785 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 12.69 25.85 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 110.092 179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.67 99.14 2.02 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.597 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' N ' ' HB3' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -60.93 114.0 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.132 0.491 . . . . 0.0 111.476 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -90.7 106.81 18.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.479 HG23 ' HB3' ' A' ' 21' ' ' LEU . 20.9 mt -107.51 93.26 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -110.84 108.18 17.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -96.94 93.61 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.736 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -103.2 90.71 3.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.963 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -97.99 80.56 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.972 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -86.91 66.85 9.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.439 0.637 . . . . 0.0 109.98 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 10.8 mt -88.15 -11.01 48.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.996 -179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.86 -137.18 28.17 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.775 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -78.21 33.96 0.2 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -77.75 -13.86 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.41 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.8 t80 65.35 80.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.08 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -92.95 127.46 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.282 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -75.59 92.13 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.87 -20.24 49.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.81 0.338 . . . . 0.0 110.824 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' A' ' 68' ' ' LYS . 31.0 mm-40 -59.53 -42.58 92.61 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.658 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.2 mm100 -64.56 -45.81 85.47 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.825 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 3.6 tt0 -64.06 -45.43 88.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.911 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -61.83 -47.58 84.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.226 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.2 pt20 -58.6 -32.65 69.19 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -84.44 -29.96 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.648 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.2 m -74.15 -28.06 61.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -49.62 -37.81 29.46 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.73 -29.17 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.776 0.322 . . . . 0.0 111.621 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.0 mt -100.58 -27.54 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.998 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.05 -19.37 64.32 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -13.39 60.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.175 0.512 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -153.03 46.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.331 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -78.69 63.77 3.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.264 0.554 . . . . 0.0 112.205 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.22 -16.09 58.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.817 0.818 . . . . 0.0 109.1 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.538 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -75.42 169.79 17.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.315 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -88.17 71.45 9.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.098 0.475 . . . . 0.0 110.471 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.4 p -99.66 129.76 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.593 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -142.2 102.82 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.172 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -99.81 135.77 40.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.335 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.5 tt -152.49 139.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.118 0.485 . . . . 0.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' OD1' ' HG3' ' A' ' 92' ' ' GLU . 3.2 p30 -111.2 -169.23 1.42 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.035 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.8 m -147.24 37.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.629 0.252 . . . . 0.0 110.744 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.477 ' HG3' ' OD1' ' A' ' 90' ' ' ASP . 0.1 OUTLIER -85.42 -172.63 4.24 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.984 -179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 p -128.71 124.85 62.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.575 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -61.01 118.09 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.957 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.4 t -154.47 148.91 26.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.6 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -87.93 84.68 6.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.533 . . . . 0.0 110.348 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -101.29 119.98 39.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.119 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.97 67.41 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.222 0.534 . . . . 0.0 110.093 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.32 89.51 5.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.819 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -70.22 138.07 51.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.722 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -76.55 62.67 1.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.374 0.607 . . . . 0.0 111.337 -179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.4 tp -120.33 112.46 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -133.53 157.48 45.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.947 0.404 . . . . 0.0 110.905 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -103.44 16.85 25.46 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.044 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.006 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m -67.81 138.87 56.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 0.0 110.779 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -139.55 168.58 19.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.262 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.5 ttm -80.47 124.67 29.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.113 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.58 163.73 14.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.544 HG22 ' H ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -83.67 -167.99 1.94 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.794 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.544 ' H ' HG22 ' A' ' 6' ' ' THR . 60.6 pttt -73.72 156.75 37.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.114 0.483 . . . . 0.0 110.502 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -102.34 152.47 21.04 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.298 -179.109 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -97.2 -63.2 1.15 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.223 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -122.96 137.14 55.03 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.38 162.55 29.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.711 0.291 . . . . 0.0 111.049 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.3 p -160.96 131.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.829 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 t -155.25 139.93 17.04 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mt -132.06 104.35 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' OD1' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -94.34 108.92 20.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.22 31.97 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.67 -85.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.255 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -105.34 15.71 26.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.332 0.587 . . . . 0.0 110.181 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.43 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 17.2 m120 -119.53 178.55 4.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.301 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.24 -80.9 0.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.389 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 60.8 tp -171.52 98.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.226 0.536 . . . . 0.0 110.747 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -116.86 104.27 11.14 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD21 HG22 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -118.02 139.8 50.67 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.003 0.43 . . . . 0.0 110.515 -179.175 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -139.56 123.1 17.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.377 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 tp -129.73 135.76 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.817 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -124.91 63.54 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.982 0.42 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.33 109.65 8.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.122 0.487 . . . . 0.0 110.18 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.61 146.17 24.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.766 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.5 m 64.79 34.84 9.1 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.514 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 m -132.62 166.49 22.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.842 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -90.7 118.42 30.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -89.82 28.41 1.35 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.685 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.19 -39.28 63.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.751 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.6 mt -70.66 -31.7 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.39 -46.26 20.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.462 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.36 -41.5 89.43 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.279 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.62 -50.3 61.17 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.911 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.73 -39.54 84.26 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.9 -55.41 35.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -64.58 -42.14 95.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.889 0.376 . . . . 0.0 111.004 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 7.0 ttt -60.18 -57.94 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.868 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.04 -39.34 93.87 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 m -51.63 -39.89 58.9 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.2 mt -97.44 -22.94 4.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.674 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -68.94 -63.09 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.88 125.02 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 111.619 -178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -135.71 24.05 3.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.67 0.748 . . . . 0.0 109.316 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.72 84.49 5.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.235 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -69.97 -47.62 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.342 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.09 -32.34 7.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.049 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.15 -45.02 4.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.42 83.17 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.27 115.84 2.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.173 0.511 . . . . 0.0 112.231 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -96.83 112.48 24.21 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.699 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 17.4 mt -115.18 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.562 0.696 . . . . 0.0 109.608 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 m -101.7 98.75 8.99 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.063 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG22 HD21 ' A' ' 23' ' ' LEU . 21.4 t -85.84 95.19 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.506 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -104.07 96.37 6.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -104.22 98.98 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.035 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 68.84 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD13 HH11 ' A' ' 64' ' ' ARG . 8.7 mt -83.25 -14.06 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.532 -178.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.79 -135.05 28.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -79.69 20.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.524 HH11 HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.51 -37.07 77.34 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 179.42 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.2 t80 62.02 86.44 0.11 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.658 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 64' ' ' ARG . 58.2 tp -103.52 160.1 15.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.528 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -76.77 68.12 2.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -34.61 14.22 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.063 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -30.08 70.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.082 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 7.0 mm100 -69.84 -39.61 76.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.616 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 4.2 mp0 -72.94 -37.22 67.23 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 35.5 tt0 -63.99 -46.54 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.653 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.8 pp0? -56.29 -31.12 63.34 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.7 pp -87.28 -22.0 25.44 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.603 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.7 m -81.46 -20.5 40.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.187 0.518 . . . . 0.0 110.005 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 25.7 mm-40 -56.98 -27.58 61.52 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.913 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.7 mp -56.64 -40.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.57 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.83 -32.6 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.069 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -60.68 -24.9 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.205 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m -59.85 -27.95 67.09 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.008 0.433 . . . . 0.0 111.412 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -152.05 57.45 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.787 0.803 . . . . 0.0 109.175 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -77.87 79.06 4.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.167 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -81.87 -18.41 43.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.751 0.786 . . . . 0.0 109.38 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.545 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.31 167.95 20.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.511 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -84.1 73.55 10.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.454 0.645 . . . . 0.0 110.186 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 13.7 p -93.16 141.93 13.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.457 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -155.14 86.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.997 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 m -98.26 116.76 31.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.76 146.1 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.801 0.334 . . . . 0.0 110.14 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -117.03 -146.13 0.4 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.61 81.15 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 118.365 0.53 . . . . 0.0 110.931 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -83.58 99.32 10.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.606 0.717 . . . . 0.0 110.603 179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 94' ' ' ILE . 2.3 p -65.57 -35.12 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.784 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.432 HG22 HG13 ' A' ' 93' ' ' VAL . 5.3 tt -141.97 121.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.157 0.504 . . . . 0.0 110.316 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.06 82.19 4.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.237 0.541 . . . . 0.0 109.775 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -90.02 159.72 16.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.411 ' HE2' ' OE2' ' A' ' 98' ' ' GLU . 1.2 tpmt? -79.81 139.17 37.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.242 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' OE2' ' HE2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -81.93 48.54 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.319 0.58 . . . . 0.0 110.235 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.53 59.61 4.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.232 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -115.05 126.42 54.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -76.5 81.27 3.2 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.436 0.636 . . . . 0.0 110.221 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.7 tp -128.23 137.15 58.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.348 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -157.74 107.45 2.14 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.99 23.14 2.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.114 0.483 . . . . 0.0 110.726 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.345 179.84 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.039 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -101.59 170.53 8.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.51 0.195 . . . . 0.0 110.673 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -75.52 137.55 40.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 0.0 111.089 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -176.95 4.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.247 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -71.63 154.45 41.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.258 0.551 . . . . 0.0 111.229 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.69 167.22 14.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.2 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -55.61 151.62 10.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.19 0.519 . . . . 0.0 112.202 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.49 168.36 19.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.125 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.71 -73.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.608 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -109.3 162.83 13.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.251 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -162.3 163.96 27.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.734 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.91 136.67 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.017 0.437 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.9 t -132.32 135.16 46.01 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.6 mt -133.59 93.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.265 0.555 . . . . 0.0 109.7 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -87.97 110.45 20.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.613 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.37 30.43 2.42 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.172 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.15 115.5 30.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.473 0.178 . . . . 0.0 111.188 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 54.76 43.41 30.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.12 -154.41 0.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.781 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 47' ' ' TYR . . . -99.73 -83.99 1.77 Allowed Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.95 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 39' ' ' GLN . 37.0 tp -168.96 94.08 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.036 0.446 . . . . 0.0 110.73 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.49 99.44 7.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.896 0.379 . . . . 0.0 109.983 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.64 152.9 40.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.081 0.467 . . . . 0.0 111.182 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -151.45 120.14 6.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.699 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.8 127.31 51.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.7 73.32 1.12 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.768 0.318 . . . . 0.0 110.834 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -144.34 138.51 27.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.03 147.32 30.09 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.0 m 61.55 25.76 15.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 114.91 -1.041 . . . . 0.0 113.067 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.5 m -114.68 167.49 10.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.55 0.214 . . . . 0.0 110.542 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -77.08 146.16 37.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.603 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -126.42 16.28 7.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.03 -37.82 75.07 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.243 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 34' ' ' LEU . 2.2 mm? -73.51 -38.71 65.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 0.0 109.991 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.12 -48.26 82.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.564 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 15.5 t0 -62.65 -47.13 85.05 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.148 179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.75 -25.48 58.89 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.952 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -81.65 -51.46 8.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.613 0.244 . . . . 0.0 110.852 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.599 ' HB2' HD21 ' A' ' 21' ' ' LEU . 1.7 pp0? -68.36 -34.58 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.628 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -74.22 -6.37 47.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 111.302 -179.176 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 52.7 ttm -114.41 -49.12 2.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.517 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.5 mt -59.27 -33.46 71.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.5 t -65.86 -11.41 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 123.116 0.26 . . . . 0.0 111.441 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -115.09 -30.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.109 0.481 . . . . 0.0 110.144 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -67.07 -58.31 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.761 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.45 99.54 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 3.8 p90 -133.66 23.15 3.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.547 0.689 . . . . 0.0 109.227 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.47 102.59 12.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.995 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 50' ' ' GLY . 38.8 t70 -120.27 -177.5 3.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.415 ' H ' ' CG ' ' A' ' 49' ' ' ASP . . . -76.11 56.07 3.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.415 -0.421 . . . . 0.0 112.328 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 62.78 26.29 15.53 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.275 0.63 . . . . 0.0 111.506 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.5 22.35 3.19 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.133 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.73 125.26 23.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.383 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -100.32 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.083 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 44.2 mt -112.77 88.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -121.3 103.67 9.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -85.93 95.59 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.601 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -94.12 83.2 4.24 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.982 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.8 74.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.12 -179.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -85.75 62.02 7.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.546 0.688 . . . . 0.0 109.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.29 -25.41 46.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.202 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.64 -128.97 8.82 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.4 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -77.96 28.67 0.17 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.59 -25.7 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 58.93 64.38 1.43 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.081 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.7 tp -81.91 146.85 29.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.907 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -79.64 70.59 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -15.48 2.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.75 -22.57 65.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.001 0.429 . . . . 0.0 110.115 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.649 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 5.3 mm100 -73.8 -53.1 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.396 0.617 . . . . 0.0 109.519 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.588 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 24.2 mp0 -65.54 -34.0 77.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.194 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 tp10 -59.01 -46.75 87.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.214 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 7.9 pt20 -62.08 -36.76 82.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -80.15 -30.61 38.94 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.506 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -70.91 -27.72 64.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 47.2 mm-40 -55.62 -31.7 62.5 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.128 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 mp -58.91 -46.35 88.12 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.17 0.509 . . . . 0.0 110.206 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.91 -32.92 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.025 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -63.27 -20.53 65.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.702 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.412 ' HB2' ' HD3' ' A' ' 81' ' ' LYS . 37.5 m -66.59 -24.78 66.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.172 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 80' ' ' SER . 0.9 OUTLIER -149.31 60.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.501 0.667 . . . . 0.0 109.279 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 1.1 pttt -74.27 75.02 1.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.56 0.695 . . . . 0.0 111.644 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -86.11 -32.41 21.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.941 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.512 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -72.88 167.51 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.597 179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.95 73.84 6.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 109.618 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 14.4 p -109.13 134.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.175 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.27 117.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.367 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.3 m -108.9 146.26 34.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.7 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -153.86 138.74 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.966 0.412 . . . . 0.0 110.57 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -122.55 -176.41 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.655 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -125.68 45.76 2.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.811 0.339 . . . . 0.0 111.017 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.14 -172.36 0.41 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.358 0.599 . . . . 0.0 111.103 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.99 136.33 58.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.743 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.98 122.08 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.257 0.551 . . . . 0.0 110.068 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -121.93 104.02 9.24 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.456 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -93.21 74.37 4.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.003 0.43 . . . . 0.0 109.919 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -169.24 137.15 1.88 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.03 53.24 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 110.537 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.43 -1.98 58.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.758 0.313 . . . . 0.0 111.515 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -81.01 122.38 27.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.067 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -82.28 98.4 8.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.7 tp -141.05 146.54 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.451 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -138.9 151.33 46.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -122.16 16.05 10.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.362 0.601 . . . . 0.0 109.504 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.246 0.884 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.011 -179.451 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.634 -0.186 . . . . 0.0 112.634 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -90.53 -40.85 11.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.938 0.399 . . . . 0.0 110.579 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -161.25 162.02 30.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.168 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.1 mtp -110.08 148.9 30.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.843 0.354 . . . . 0.0 110.808 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -136.77 149.6 47.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.231 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.93 -173.65 2.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.058 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -79.29 162.85 25.37 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 154.15 25.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.035 0.445 . . . . 0.0 110.911 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -102.91 -51.24 3.32 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.432 0.634 . . . . 0.0 109.803 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -117.54 101.77 8.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.375 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -121.74 162.62 20.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.879 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -140.39 144.28 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.461 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -138.03 134.1 34.38 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -131.96 99.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.001 0.429 . . . . 0.0 110.554 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -93.15 98.48 11.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.34 87.82 0.27 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.777 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -175.25 111.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 61.44 40.74 13.6 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.642 0.734 . . . . 0.0 110.776 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -161.03 -157.19 0.5 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.77 -87.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.905 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 55' ' ' ILE . 19.4 tp -161.82 95.91 1.0 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 97.0 6.02 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.213 0.53 . . . . 0.0 109.965 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.3 pt? -128.96 152.32 48.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -147.69 123.65 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.422 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.6 tp -116.26 136.07 53.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.75 70.71 1.07 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.187 0.518 . . . . 0.0 110.882 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t0 -129.02 176.63 7.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.576 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.99 141.19 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.334 -0.246 . . . . 0.0 110.334 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 t 64.2 14.42 8.62 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.849 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.53 -174.29 2.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -120.79 119.73 33.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD2' HD21 ' A' ' 61' ' ' LEU . 1.6 m-20 -74.3 37.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.5 -44.27 96.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.67 0.271 . . . . 0.0 110.865 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.8 -33.03 70.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.528 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.08 -49.45 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.373 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.14 -40.11 80.48 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.595 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.66 75.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.314 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.39 -38.64 68.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 110.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -58.54 -54.57 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -24.93 64.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.234 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.0 ttt -75.11 -57.52 3.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.3 mt -59.35 -39.42 83.18 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 m -60.1 -25.74 65.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mt -106.3 -20.67 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.241 0.544 . . . . 0.0 110.661 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -83.81 -46.45 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.631 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -153.46 96.57 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.802 0.334 . . . . 0.0 111.161 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -120.91 8.81 10.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.191 0.52 . . . . 0.0 110.434 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 m -126.3 118.37 24.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.396 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -104.38 -60.65 1.56 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.681 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.99 -28.53 5.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.736 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -103.92 -29.19 11.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.076 0.465 . . . . 0.0 109.964 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.6 80.73 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.301 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -65.81 110.08 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.065 0.459 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -85.08 112.43 20.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.654 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 mt -114.63 91.18 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.211 0.529 . . . . 0.0 109.955 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -121.07 115.24 22.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.937 0.399 . . . . 0.0 110.531 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 t -106.08 101.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.608 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -110.09 94.81 5.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.846 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.23 87.78 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.418 0.628 . . . . 0.0 110.139 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -85.78 63.62 8.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.673 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 14.5 mt -86.57 -54.12 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.143 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.76 -113.76 4.82 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.951 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.87 29.92 0.2 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 61' ' ' LEU . 6.3 tpm_? -81.38 -35.5 30.73 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 58.06 48.3 13.33 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.516 0.674 . . . . 0.0 109.989 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 35.9 tp -65.16 144.23 57.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.207 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -77.33 71.81 3.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.858 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.622 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 2.2 pttt -54.06 -17.82 3.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.443 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.66 -27.27 69.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.073 0.463 . . . . 0.0 110.046 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 16.4 mm100 -68.6 -36.39 78.62 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.168 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.622 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 17.2 mp0 -83.85 -36.78 23.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.419 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -61.55 -42.14 98.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.454 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.7 pp0? -57.93 -36.32 72.34 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 1.9 pp -83.77 -33.18 25.07 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.217 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 48.7 m -65.95 -31.66 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.483 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -56.61 -27.61 58.59 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.594 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.5 -37.93 88.23 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.125 0.488 . . . . 0.0 110.473 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.81 -16.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.212 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.589 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -69.33 -11.79 61.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 111.241 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.88 37.9 1.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.966 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -75.62 52.23 0.64 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.086 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.74 -23.57 53.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.86 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -70.47 173.22 7.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.874 179.526 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -81.9 69.74 8.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.041 0.448 . . . . 0.0 110.037 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.654 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.4 p -108.38 126.64 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.341 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.52 103.36 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.618 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -97.58 130.06 44.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.358 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.3 tt -138.68 137.47 43.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -114.85 -168.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -131.78 42.32 3.18 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.48 173.15 6.23 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.876 0.37 . . . . 0.0 111.277 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.21 -12.5 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.148 0.499 . . . . 0.0 110.592 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 tp -161.25 121.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.08 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 t -84.33 179.91 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.02 0.438 . . . . 0.0 111.113 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -109.34 159.2 17.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 0.0 111.111 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -148.13 101.41 3.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.873 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -82.64 53.71 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.107 0.479 . . . . 0.0 111.703 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.96 88.82 3.64 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -117.85 150.21 39.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.918 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -85.26 85.67 7.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.273 0.559 . . . . 0.0 110.367 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.0 tp -145.95 123.82 4.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.589 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -141.23 148.76 40.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.277 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -112.49 33.44 4.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.432 0.634 . . . . 0.0 109.955 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.666 -179.839 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -80.24 140.45 36.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.617 -0.343 . . . . 0.0 110.622 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -110.26 173.03 6.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.382 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 8.4 mtt -130.58 174.79 9.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.39 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -71.21 132.79 45.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.935 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -51.18 58.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.961 0.41 . . . . 0.0 110.509 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -149.23 159.46 44.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.896 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.52 154.28 44.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.081 0.467 . . . . 0.0 110.932 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -93.87 -43.1 8.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.049 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -102.06 136.6 41.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.712 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -159.03 177.52 11.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.927 0.394 . . . . 0.0 111.473 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.24 143.22 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 t -146.16 134.79 22.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mt -134.92 116.79 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -127.53 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.905 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.19 45.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.653 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 t -94.76 -33.68 12.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.336 . . . . 0.0 111.593 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -132.35 9.59 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.089 0.471 . . . . 0.0 110.951 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -136.24 -177.17 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.27 -86.03 0.03 OUTLIER Glycine 0 CA--C 1.523 0.55 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.004 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HB3' HG23 ' A' ' 55' ' ' ILE . 53.4 tp -170.7 109.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.891 0.376 . . . . 0.0 110.984 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -118.69 102.02 8.54 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 HG13 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -123.77 149.72 45.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.37 . . . . 0.0 110.984 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -155.63 125.58 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.436 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 tt -131.79 129.9 41.13 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -122.05 82.33 1.94 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.52 0.2 . . . . 0.0 110.785 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -158.28 126.48 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.006 0.432 . . . . 0.0 110.393 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.23 159.0 15.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.142 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.3 m 68.96 11.07 8.24 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.242 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.0 m -115.57 166.93 11.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -95.1 140.17 30.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.479 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.75 19.78 10.78 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.916 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -61.38 -36.57 80.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.904 0.383 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -73.74 -14.58 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.2 tp -92.04 -49.01 6.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 21.7 t0 -63.68 -24.24 67.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.34 59.99 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.84 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -83.17 -30.77 27.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG2' HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -57.77 -47.65 81.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.343 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -8.88 59.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.375 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 ttt -90.84 -59.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.3 mt -58.59 -39.51 80.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -57.56 -42.02 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.126 0.489 . . . . 0.0 111.221 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.3 -34.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.11 -59.1 5.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.506 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.05 105.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.953 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -109.78 20.3 18.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.492 0.663 . . . . 0.0 109.24 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.62 103.68 13.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.777 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -127.21 124.13 38.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.48 -12.12 84.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.329 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -96.25 0.03 50.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.015 0.436 . . . . 0.0 109.865 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.13 95.85 2.41 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.42 99.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.091 0.472 . . . . 0.0 111.837 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -89.99 112.14 23.45 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.936 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.503 HG23 ' HB3' ' A' ' 21' ' ' LEU . 63.5 mt -106.58 95.99 4.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.1 m -114.12 105.04 12.73 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.132 0.492 . . . . 0.0 111.762 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG13 HD11 ' A' ' 23' ' ' LEU . 19.7 t -91.24 88.39 2.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -93.74 85.76 4.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 0.0 111.105 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.86 68.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.624 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -83.77 59.41 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.329 0.585 . . . . 0.0 109.688 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 mt -74.98 -68.54 0.54 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.745 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.08 -141.23 12.43 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.54 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -71.31 30.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -9.54 59.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.8 t80 65.98 80.06 0.23 Allowed 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.684 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -85.5 156.55 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.279 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -110.19 94.6 5.1 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.838 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.527 ' HE3' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -59.86 -18.71 46.38 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.902 0.382 . . . . 0.0 110.453 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' OE2' ' HE3' ' A' ' 68' ' ' LYS . 55.8 mm-40 -63.59 -35.08 79.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.491 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.34 -45.37 73.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.796 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.52 ' OE2' ' HA ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -67.47 -44.24 79.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.122 0.487 . . . . 0.0 109.691 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 18.0 tt0 -56.85 -52.24 65.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.639 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -59.44 -39.86 84.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -75.11 -31.96 61.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.002 0.43 . . . . 0.0 110.473 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 m -71.09 -32.79 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.576 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 9.1 mm-40 -52.12 -29.42 21.71 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.23 -37.59 85.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.088 0.47 . . . . 0.0 110.831 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.43 -18.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.164 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.66 -32.49 71.68 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -25.08 67.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.44 0.638 . . . . 0.0 110.938 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -136.56 53.4 1.92 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -73.83 56.19 0.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.726 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.66 -29.49 51.61 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.569 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -69.85 152.02 45.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.558 179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -82.33 86.22 6.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.185 0.517 . . . . 0.0 110.742 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 12.3 p -103.91 138.87 26.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.725 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -156.08 104.85 2.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 m -103.57 155.23 18.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 14.6 tt -155.37 117.8 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.346 0.593 . . . . 0.0 109.751 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -112.98 -174.53 2.47 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.017 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m -137.94 74.56 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -86.14 168.96 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.378 0.608 . . . . 0.0 111.276 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.7 p -121.36 125.14 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.185 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.7 mt 69.89 84.63 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.484 0.659 . . . . 0.0 110.339 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.12 146.88 41.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.936 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -104.47 173.04 6.48 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -99.64 144.21 28.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.539 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -83.72 67.03 9.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.259 0.552 . . . . 0.0 110.689 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.32 72.42 9.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.638 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -140.64 142.52 34.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.293 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -91.39 76.45 5.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.279 0.561 . . . . 0.0 109.98 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.3 tt -109.03 135.49 47.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.333 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -144.83 120.8 10.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -92.19 21.33 5.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.59 0.709 . . . . 0.0 110.663 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.198 179.581 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -67.61 109.56 3.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.855 0.36 . . . . 0.0 111.115 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -132.17 144.19 50.5 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -71.15 145.86 49.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.765 0.316 . . . . 0.0 110.998 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -85.38 118.91 25.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -61.63 2.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.034 0.445 . . . . 0.0 111.295 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -161.14 176.86 10.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.013 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.33 172.7 12.31 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.477 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -86.12 -42.17 14.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.073 0.463 . . . . 0.0 110.371 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -91.11 124.63 35.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.253 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -158.42 -178.99 7.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.547 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -145.71 138.28 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.259 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 t -133.45 134.39 43.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.965 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.57 124.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.566 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 23.8 pttt -138.66 135.79 35.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.147 0.499 . . . . 0.0 110.239 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.41 31.43 0.58 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.231 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -95.16 115.1 26.99 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.623 -0.34 . . . . 0.0 110.409 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 mttp 62.66 15.55 8.13 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.826 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 4.8 m120 -130.58 177.78 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.274 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.86 -84.83 0.21 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.483 -0.865 . . . . 0.0 111.538 178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 39' ' ' GLN . 44.8 tp -170.36 109.4 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.967 0.413 . . . . 0.0 110.631 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -127.51 112.96 15.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.861 0.363 . . . . 0.0 110.514 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD21 HG22 ' A' ' 57' ' ' VAL . 1.2 pt? -140.84 153.4 45.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.431 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -150.82 128.16 11.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.7 tp -122.17 129.01 51.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.27 103.14 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.406 0.146 . . . . 0.0 111.191 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.601 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.5 t70 -166.05 -165.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' OD1' ' A' ' 63' ' ' ASN . . . -162.85 142.79 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.9 m 59.65 31.87 21.16 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.211 0.529 . . . . 0.0 110.695 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.7 m -122.23 156.3 34.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.44 156.85 21.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.398 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -105.68 17.89 23.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.74 -42.2 67.91 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -87.37 1.29 53.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.903 0.382 . . . . 0.0 111.134 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 tp -103.33 -50.83 3.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.962 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 6.4 t70 -57.36 -48.14 79.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.722 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.55 -28.98 38.65 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.191 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.08 -57.24 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.647 0.261 . . . . 0.0 110.795 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.851 ' HB2' HD21 ' A' ' 21' ' ' LEU . 2.3 pp0? -62.36 -35.99 80.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.598 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 3.4 t-20 -63.77 -54.11 40.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.03 -41.32 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 45' ' ' GLU . 23.0 mt -59.6 -43.68 93.64 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m -65.46 -14.28 60.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 111.783 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.39 -43.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.445 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 42' ' ' LEU . 4.6 pt-20 -73.53 -35.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.55 97.42 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -114.62 8.39 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.627 0.727 . . . . 0.0 109.329 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.27 90.16 5.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.253 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.558 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 2.8 t70 -69.09 -54.06 16.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.998 179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.05 -28.11 8.2 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.15 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -118.6 -52.1 2.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 0.0 110.487 -178.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.85 81.59 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 98.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.274 0.559 . . . . 0.0 111.868 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -87.33 101.53 13.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.42 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.79 HG23 ' HB3' ' A' ' 21' ' ' LEU . 32.2 mt -102.82 75.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.5 m -111.46 97.85 7.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.015 0.436 . . . . 0.0 112.075 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG22 HD21 ' A' ' 23' ' ' LEU . 21.7 t -82.88 89.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -99.73 99.5 10.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.76 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.5 153.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.889 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' HD2' ' OG ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.1 71.9 1.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.322 179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.601 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 17.4 mt -106.77 -52.44 2.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.568 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 85.15 -86.41 1.56 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.735 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.41 ' OD1' ' HB1' ' A' ' 28' ' ' ALA . 46.0 p-10 -84.38 46.47 1.23 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.256 0.55 . . . . 0.0 110.891 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.64 -22.8 37.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.951 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 t80 49.0 48.38 20.8 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.48 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 tp -99.27 137.39 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -67.87 116.59 8.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -21.74 63.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.284 0.564 . . . . 0.0 110.317 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -64.36 -29.77 70.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.073 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.3 mm100 -74.41 -30.9 62.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.821 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 34.3 mt-10 -73.63 -38.9 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.89 -44.62 96.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.858 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 9.9 pt20 -62.48 -23.82 67.13 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.5 pp -95.99 -35.66 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.245 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -73.21 -20.11 60.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -53.44 -36.11 61.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.787 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.61 -26.27 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.1 mp -97.21 -31.18 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.584 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -56.26 -32.16 64.25 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -14.7 62.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.836 0.35 . . . . 0.0 111.323 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -144.45 38.08 1.24 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.135 0.493 . . . . 0.0 110.044 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 21.6 pttp -81.02 52.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.52 0.676 . . . . 0.0 110.991 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.41 4.78 26.1 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.226 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -96.67 172.93 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.03 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -82.71 62.43 6.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 0.0 110.188 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -97.29 138.67 21.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 107.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -103.11 148.62 25.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.277 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.4 tt -170.61 155.61 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.862 0.363 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.62 159.34 40.77 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.501 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -78.17 58.26 2.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.984 0.421 . . . . 0.0 111.156 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.555 ' HB2' ' HG1' ' A' ' 95' ' ' THR . 0.0 OUTLIER -60.36 141.44 56.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.81 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.2 p -102.0 77.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.827 0.823 . . . . 0.0 110.979 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.6 mt 55.92 64.25 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.677 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.555 ' HG1' ' HB2' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -87.41 62.12 6.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.445 0.64 . . . . 0.0 110.762 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -98.25 106.15 18.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.049 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -151.34 131.76 13.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -90.52 82.08 5.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.332 0.587 . . . . 0.0 110.388 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.38 84.52 7.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.715 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -74.62 105.31 5.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -71.99 93.69 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.235 0.54 . . . . 0.0 111.102 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.7 tt -145.53 131.42 13.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.53 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HD3' ' OE2' ' A' ' 105' ' ' GLU . 1.6 mmp_? -129.98 146.35 51.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.742 0.306 . . . . 0.0 110.631 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -94.87 -23.46 17.45 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.309 0.576 . . . . 0.0 110.165 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' OE2' ' HD3' ' A' ' 103' ' ' ARG . 1.8 pm0 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.75 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -74.49 104.43 5.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.137 0.494 . . . . 0.0 111.36 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -129.17 153.12 48.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.829 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -89.15 150.14 22.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.798 0.332 . . . . 0.0 110.401 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -81.15 109.8 16.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.419 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -59.38 3.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.691 0.282 . . . . 0.0 110.422 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -165.19 173.18 11.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.206 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 170.58 17.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -90.02 -46.65 8.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -83.27 113.67 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.641 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -157.33 176.49 12.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.464 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.15 148.26 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.405 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -144.82 131.87 20.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mt -138.68 120.71 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.979 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -131.81 137.92 48.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.529 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -164.43 48.18 0.3 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.026 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.6 t -100.36 108.36 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.631 -0.334 . . . . 0.0 110.263 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt 64.42 14.08 8.57 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.888 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.543 ' HA ' ' OD2' ' A' ' 49' ' ' ASP . 15.5 m120 -127.87 -179.32 4.9 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.05 -95.88 0.03 OUTLIER Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.58 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HB3' HG23 ' A' ' 55' ' ' ILE . 30.7 tp -168.11 101.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.202 0.525 . . . . 0.0 110.449 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -116.52 116.81 28.32 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -143.5 154.46 43.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.957 0.408 . . . . 0.0 110.597 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 42.3 t60 -152.21 135.9 16.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.115 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.55 124.42 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.067 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -105.7 108.5 20.05 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.288 0.368 . . . . 0.0 110.209 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 1.7 t70 -170.25 -167.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -167.38 140.51 3.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.562 0.22 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m 62.62 23.56 14.01 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.43 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.82 167.63 10.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.44 144.06 26.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.469 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -108.72 16.67 22.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.23 -36.93 73.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 111.601 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.81 -20.79 61.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.203 0.525 . . . . 0.0 110.386 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tp -85.56 -43.27 13.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.592 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 11.0 t70 -59.47 -47.3 86.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.878 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.53 59.54 Favored Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.602 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.16 -53.23 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 111.211 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HB2' HD21 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -64.2 -37.98 89.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.608 -178.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -63.92 -49.31 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.2 ttt -62.1 -49.42 75.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.089 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.3 mt -59.86 -47.86 84.04 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 m -65.3 -12.86 55.98 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.5 mt -92.29 -48.16 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.0 -27.7 16.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.2 85.04 1.78 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.639 0.654 . . . . 0.0 112.132 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -120.31 11.77 11.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.043 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 m -101.04 99.83 10.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.035 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.543 ' OD2' ' HA ' ' A' ' 19' ' ' ASN . 5.5 t70 -83.04 -44.48 15.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.405 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.8 -43.57 1.65 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.659 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -99.82 -45.13 5.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.366 0.603 . . . . 0.0 110.046 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.48 92.21 0.09 OUTLIER Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.404 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.07 94.64 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.109 0.48 . . . . 0.0 110.972 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -78.71 90.62 4.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.071 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.595 HG23 ' HB3' ' A' ' 21' ' ' LEU . 43.8 mt -96.05 85.64 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.6 m -118.2 100.46 7.53 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.151 0.501 . . . . 0.0 111.765 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.69 93.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 67.3 m170 -100.13 97.09 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.507 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -94.78 135.97 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.45 60.66 0.94 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 36.0 mt -100.87 -49.7 4.06 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.111 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 87.79 -96.55 2.19 Favored Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.687 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -87.11 60.24 6.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.745 0.784 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 17.4 ptt-85 -84.23 -18.97 34.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.537 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.1 t80 50.58 57.71 6.31 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.9 tp -114.53 142.08 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -75.5 121.06 21.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -25.23 68.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.126 0.489 . . . . 0.0 110.291 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 1.7 mp0 -60.49 -35.48 76.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.005 178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 17.1 mm100 -69.71 -25.8 64.04 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 8.9 mt-10 -85.57 -43.26 13.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.707 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -61.75 -34.07 75.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 22.5 pt20 -60.07 -35.89 76.17 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.1 pp -88.79 -25.08 22.44 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.066 0.46 . . . . 0.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.6 m -69.8 -21.59 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.675 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -56.23 -31.39 63.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.308 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.52 -29.62 68.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.303 0.573 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.27 -26.86 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.708 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -27.26 62.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 p -73.33 -16.66 61.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.27 0.557 . . . . 0.0 110.731 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -145.79 42.3 1.23 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.389 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -84.07 46.78 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.313 0.578 . . . . 0.0 111.11 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.05 -0.62 57.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.884 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -92.24 175.84 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.025 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.64 73.94 6.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -110.44 125.33 67.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -152.54 113.54 4.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -106.16 141.81 36.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tp -160.34 146.63 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.461 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.596 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 29.1 t0 -127.57 165.9 19.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.532 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.9 m -81.31 43.94 0.76 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.508 ' HB2' ' HG1' ' A' ' 95' ' ' THR . 0.8 OUTLIER -59.01 140.78 55.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.077 0.465 . . . . 0.0 110.998 -179.354 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.9 p -101.33 79.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.342 0.592 . . . . 0.0 111.315 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.8 mt 49.74 56.42 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.4 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.508 ' HG1' ' HB2' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -82.49 74.07 9.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.67 -179.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -104.01 72.17 1.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.123 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -98.91 134.94 41.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.26 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -81.74 71.95 8.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.23 0.538 . . . . 0.0 109.812 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.7 85.15 2.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.201 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -87.97 107.4 18.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.63 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -73.74 100.01 3.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.156 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 tt -149.03 136.36 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.3 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.96 145.55 46.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.537 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.16 33.44 5.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.928 0.87 . . . . 0.0 108.715 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.991 -179.535 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -77.88 153.93 32.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -131.25 122.37 26.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.748 0.309 . . . . 0.0 110.776 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 43.2 mtt -73.93 172.47 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.723 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -91.66 128.69 37.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.971 0.415 . . . . 0.0 111.016 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.84 174.29 5.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -74.0 162.43 29.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.798 0.333 . . . . 0.0 110.614 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 173.0 12.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.491 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -88.27 -62.04 1.58 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.281 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 19.8 pt20 -94.23 143.42 26.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.047 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -167.53 -169.88 1.3 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.241 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.17 143.9 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.465 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -152.44 139.93 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.752 0.31 . . . . 0.0 110.406 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.8 127.16 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.159 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.93 106.26 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.933 0.396 . . . . 0.0 110.112 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -153.83 79.8 0.19 Allowed Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -130.88 -69.87 0.63 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.755 0.312 . . . . 0.0 111.46 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -110.29 40.42 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.746 0.784 . . . . 0.0 109.147 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -158.68 -162.79 1.15 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.543 -1.208 . . . . 0.0 108.704 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.52 -95.18 0.32 Allowed Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.045 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 55' ' ' ILE . 29.7 tp -163.17 101.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.284 0.564 . . . . 0.0 110.308 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.31 101.25 8.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.925 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.5 pt? -133.9 154.41 51.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.79 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -153.45 128.36 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.584 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -116.39 132.63 56.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -123.52 76.4 1.41 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.41 127.65 10.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.057 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.98 153.96 19.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.558 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 8.7 m 62.21 27.04 16.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.653 0.381 . . . . 0.0 111.528 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.9 m -127.4 158.81 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -92.38 128.23 38.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.007 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.52 34.71 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.401 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -60.15 -35.43 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.296 0.569 . . . . 0.0 110.567 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.23 -3.5 57.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.95 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tp -103.98 -52.83 2.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.501 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -34.59 78.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.291 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.97 -42.46 99.76 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.3 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.54 -31.56 32.65 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 122.702 -0.293 . . . . 0.0 110.558 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -54.47 46.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.148 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.61 -34.95 76.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.8 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.3 tpp -61.73 -56.23 21.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.697 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.37 -36.52 84.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.7 m -61.35 -21.44 64.02 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 111.51 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -104.59 -34.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 110.348 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -66.96 -57.65 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.495 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -155.42 118.0 4.23 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.064 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -145.97 26.33 1.24 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.43 0.633 . . . . 0.0 109.539 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -104.16 84.11 2.18 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.655 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' OD1' ' HD3' ' A' ' 51' ' ' LYS . 25.8 t0 -96.04 145.58 25.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.076 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -95.65 -7.98 58.63 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HD3' ' OD1' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -107.0 18.05 22.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.98 0.419 . . . . 0.0 109.907 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.58 91.68 1.1 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.009 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.64 117.75 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.166 0.507 . . . . 0.0 111.795 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -93.41 107.59 19.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.445 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.674 HG23 ' HB3' ' A' ' 21' ' ' LEU . 9.9 mt -112.02 67.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.481 0.657 . . . . 0.0 109.821 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 m -95.93 90.68 5.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.188 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 88' ' ' SER . 41.7 t -81.43 102.48 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.897 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -106.52 93.62 4.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -95.64 82.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.211 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -94.37 74.87 3.89 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.631 HD13 ' HG2' ' A' ' 64' ' ' ARG . 1.4 mt -81.71 -65.79 0.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.977 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.622 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 130.87 -79.69 0.36 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.676 -0.774 . . . . 0.0 113.046 178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -131.6 35.96 3.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 110.961 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.631 ' HG2' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -86.35 -23.46 26.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 t80 69.57 70.13 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.101 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' H ' ' HG3' ' A' ' 92' ' ' GLU . 10.6 tp -69.44 141.22 54.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.29 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -85.0 93.82 8.67 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -28.09 68.46 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -60.88 -35.47 76.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.102 0.477 . . . . 0.0 110.147 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -71.52 -36.37 71.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.19 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 7.7 mm-40 -78.34 -38.56 41.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.44 0.638 . . . . 0.0 110.524 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.3 tt0 -61.7 -48.32 81.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.636 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -32.16 65.66 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.7 pp -85.59 -32.52 22.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -70.18 -26.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.48 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 7.3 mm-40 -51.98 -37.33 52.73 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.376 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.73 -49.75 75.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 mp -76.02 -29.11 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.25 56.15 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.29 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.017 0.437 . . . . 0.0 110.843 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -142.87 50.42 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.959 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -78.75 59.51 2.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.465 0.65 . . . . 0.0 111.468 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -77.31 -16.25 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.741 0.782 . . . . 0.0 109.226 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.62 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -75.61 167.8 21.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.853 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.8 68.39 10.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.095 0.474 . . . . 0.0 109.936 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 2.9 p -96.65 119.84 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.622 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -140.84 94.68 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.138 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -95.89 129.68 43.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.109 179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.9 tt -148.94 135.28 12.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.0 0.428 . . . . 0.0 110.978 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 4.2 p-10 -104.5 -176.55 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.894 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -139.0 32.5 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.603 0.24 . . . . 0.0 110.763 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.622 ' HA ' ' O ' ' A' ' 62' ' ' GLY . 8.2 mm-40 -87.56 -177.3 5.85 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.02 0.438 . . . . 0.0 111.04 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -114.94 132.06 65.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.085 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 42.7 mm -94.6 108.83 21.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.117 0.484 . . . . 0.0 111.075 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 t -138.09 174.73 10.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.637 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -84.94 118.45 24.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.728 0.299 . . . . 0.0 110.63 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -146.16 137.25 24.5 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -84.59 62.16 7.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.434 0.635 . . . . 0.0 110.324 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.78 75.53 6.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.261 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -79.42 136.85 37.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.798 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -75.86 78.1 2.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.245 0.545 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.6 tp -139.36 94.61 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.619 0.723 . . . . 0.0 110.506 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.67 138.22 32.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.647 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -91.08 13.13 17.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.015 0.436 . . . . 0.0 110.576 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.534 -179.33 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.997 -0.441 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -76.71 160.16 29.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.99 0.424 . . . . 0.0 110.947 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -114.44 150.15 35.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.953 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 14.5 mmt -94.2 147.5 23.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.012 0.434 . . . . 0.0 110.708 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -90.69 93.94 9.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -74.33 -49.08 24.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.273 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -136.71 169.97 16.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.84 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.07 149.02 49.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.949 0.404 . . . . 0.0 110.648 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -88.79 -54.42 4.15 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.53 111.69 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.128 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.71 153.64 20.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.4 136.23 5.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.238 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 t -153.45 143.37 22.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.876 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mt -135.95 110.75 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.291 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -109.58 122.93 48.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.88 77.84 0.1 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.824 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 t -144.72 -48.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.61 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -107.88 -9.41 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.953 0.406 . . . . 0.0 110.74 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -126.15 -158.62 0.86 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.96 -106.96 0.12 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.525 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' HB3' HG23 ' A' ' 55' ' ' ILE . 51.3 tp -148.84 105.18 3.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.121 0.486 . . . . 0.0 110.385 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -119.49 107.94 13.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.141 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.43 151.82 51.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.092 0.472 . . . . 0.0 110.898 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 6.3 t-80 -152.02 128.17 10.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.501 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.3 tp -126.91 133.84 50.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.14 60.21 0.79 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.788 ' OD2' ' HB2' ' A' ' 30' ' ' SER . 2.1 t70 -123.95 141.52 51.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.15 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.75 147.76 48.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.465 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.0 m 73.99 -29.44 0.2 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.679 0.792 . . . . 0.0 112.382 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.788 ' HB2' ' OD2' ' A' ' 27' ' ' ASP . 3.6 m -81.51 176.14 9.93 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -108.68 145.5 34.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.748 0.309 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.473 ' HB2' ' HB3' ' A' ' 35' ' ' LEU . 15.3 p-10 -100.75 49.02 0.9 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.983 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -33.37 72.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.512 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.73 -15.86 43.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.939 0.4 . . . . 0.0 111.27 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 32' ' ' ASP . 11.7 tp -85.52 -52.67 5.68 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.694 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -32.41 68.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.561 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -50.75 61.53 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.016 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.3 -35.81 71.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.713 0.292 . . . . 0.0 110.389 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -54.84 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.07 -39.31 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.462 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -56.75 14.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.14 -36.32 81.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.9 t -64.85 -24.36 67.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -103.08 -24.75 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 110.774 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -73.07 -66.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.232 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.14 118.32 3.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.826 0.346 . . . . 0.0 111.437 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -134.24 24.66 3.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.8 0.809 . . . . 0.0 109.117 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.33 90.74 8.19 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.809 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.61 -67.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.734 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.96 -40.82 1.92 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.296 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -95.25 -37.35 11.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.4 0.619 . . . . 0.0 110.85 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.39 79.16 0.05 OUTLIER Glycine 0 C--N 1.314 -0.64 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 119.39 7.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.061 0.458 . . . . 0.0 111.534 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -94.19 102.56 14.6 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.8 mt -102.61 72.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -108.55 107.13 17.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.795 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -91.54 100.26 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.408 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 55.8 m170 -99.23 89.38 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.02 0.438 . . . . 0.0 110.573 -179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -96.7 74.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.476 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -79.57 64.34 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 110.101 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 8.5 mt -74.67 -75.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.621 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.57 -121.68 3.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.758 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -81.42 22.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.039 0.447 . . . . 0.0 111.064 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -65.89 -36.64 83.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.965 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.7 t80 54.56 66.1 1.33 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.479 0.657 . . . . 0.0 110.29 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.09 157.8 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.748 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.86 84.41 2.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.341 0.591 . . . . 0.0 110.245 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -51.74 -42.56 62.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.38 -179.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -60.87 -28.62 68.99 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 15.4 mm100 -72.95 -38.47 66.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.894 0.378 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.687 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 22.3 mm-40 -79.78 -30.2 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.266 0.555 . . . . 0.0 109.826 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 4.1 tp10 -62.68 -44.35 96.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 18.6 pt20 -59.48 -34.64 72.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.555 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.3 pp -81.34 -31.01 33.64 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.103 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -67.04 -31.68 72.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.795 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 11.2 mm-40 -53.52 -35.36 60.58 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.887 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.62 -48.13 82.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.597 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.38 -28.73 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.592 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.86 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.591 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.1 m -70.75 -21.93 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -149.1 53.34 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.523 0.678 . . . . 0.0 109.759 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -80.35 60.97 3.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -80.82 -27.96 36.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.326 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.555 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -75.66 173.88 10.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.54 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -83.81 69.38 10.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.105 0.479 . . . . 0.0 110.551 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.556 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -96.15 125.57 48.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.358 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -154.39 109.82 3.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.85 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -107.12 134.96 49.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.164 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.79 131.53 20.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.976 0.417 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 3.3 p-10 -113.76 -161.57 0.77 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.706 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.8 t -132.2 36.89 3.6 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.2 153.59 14.8 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.917 0.389 . . . . 0.0 110.982 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 p -96.12 -41.65 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.171 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.7 pt -135.91 140.86 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.81 0.338 . . . . 0.0 110.591 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -102.89 130.58 49.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.533 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -138.76 172.45 12.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -117.08 156.12 28.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.82 93.44 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 111.192 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -95.57 65.22 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -72.85 123.26 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.122 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -82.34 85.03 6.94 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.348 0.594 . . . . 0.0 109.846 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.5 tt -122.72 126.14 73.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.045 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 103' ' ' ARG . 5.8 mmp_? -129.15 117.0 20.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.262 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -89.49 -11.14 43.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.362 0.601 . . . . 0.0 109.614 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.013 179.279 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 112.17 -0.372 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m 69.68 89.44 0.1 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.261 0.553 . . . . 0.0 111.224 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -107.08 157.34 17.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.793 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.0 mtt -100.86 -179.75 4.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.594 0.235 . . . . 0.0 110.582 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -82.54 155.78 24.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.014 0.435 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -177.92 5.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.93 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -68.68 170.36 9.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.031 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.29 162.14 35.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.292 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -95.77 -44.01 7.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.969 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -103.21 125.64 49.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.068 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -165.1 -179.78 5.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.395 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -137.3 147.62 26.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.444 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -145.45 137.09 25.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 23' ' ' LEU . 11.9 mt -139.22 119.42 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.298 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -120.26 118.32 30.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.56 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -130.26 28.58 3.82 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.973 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -123.93 149.72 45.58 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.763 -0.257 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 57.32 23.66 9.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.556 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.456 ' CG ' ' H ' ' A' ' 20' ' ' GLY . 7.8 t-20 -173.56 -150.26 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.456 ' H ' ' CG ' ' A' ' 19' ' ' ASN . . . -96.38 -91.4 1.82 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' A' ' 55' ' ' ILE . 18.4 tp -154.63 109.52 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.846 0.355 . . . . 0.0 110.404 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.63 102.25 8.11 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.567 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.5 pt? -130.52 150.36 51.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.01 0.434 . . . . 0.0 111.183 -178.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -145.99 130.51 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.3 tp -120.31 136.39 54.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.57 77.16 1.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.728 0.299 . . . . 0.0 111.337 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 10.2 t70 -164.24 148.1 9.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.41 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.54 21.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.453 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.584 ' H ' ' HB2' ' A' ' 64' ' ' ARG . 80.3 m 52.61 34.77 16.47 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.971 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.525 ' O ' ' HD2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -125.95 137.2 53.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.084 0.469 . . . . 0.0 112.217 -179.042 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -95.41 95.87 8.73 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -89.77 82.67 6.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.758 0.79 . . . . 0.0 110.265 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.43 -17.51 63.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.604 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.22 -29.82 34.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.995 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.3 tp -73.7 -50.43 20.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.395 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.099 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.96 -50.99 61.43 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.64 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.09 -34.57 73.32 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.63 -0.137 . . . . 0.0 110.63 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -58.16 8.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.211 178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.7 -33.15 75.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 ttm -65.23 -56.45 12.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.013 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.439 HD13 ' HA3' ' A' ' 16' ' ' GLY . 27.1 mt -63.79 -43.85 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -61.14 -28.94 69.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.616 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 44' ' ' ILE . 19.3 mm -91.64 -33.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.124 0.487 . . . . 0.0 111.014 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -66.19 -59.11 4.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.911 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.39 122.87 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.744 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -130.47 23.07 5.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.831 0.824 . . . . 0.0 108.968 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.72 92.61 9.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.44 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.73 -54.86 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.817 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.76 -26.74 21.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.675 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -117.57 -23.2 7.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.207 0.527 . . . . 0.0 110.894 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.96 85.24 0.05 OUTLIER Glycine 0 C--N 1.316 -0.552 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.61 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.49 134.71 45.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.153 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -111.39 112.07 23.55 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.785 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' A' ' 21' ' ' LEU . 18.6 mt -111.13 74.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.7 m -108.17 105.0 14.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.295 0.569 . . . . 0.0 111.548 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.1 94.49 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.419 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -99.09 88.3 3.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.021 0.439 . . . . 0.0 110.586 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.56 87.65 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.04 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.36 69.42 9.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.003 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mt -79.59 -77.4 0.18 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.317 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.67 -124.69 3.54 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.373 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -86.78 21.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.593 -177.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.584 ' HB2' ' H ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -77.56 -27.74 51.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.174 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 58.32 77.9 0.27 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.98 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.2 tp -78.2 149.84 33.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.081 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -81.34 76.04 8.29 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.071 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -24.49 57.67 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.134 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.87 -28.89 70.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.096 0.474 . . . . 0.0 110.101 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -67.87 -37.88 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.475 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.727 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 47.3 mt-10 -83.87 -37.57 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.192 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -59.75 -41.71 91.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.383 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -61.78 -27.65 68.9 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.4 pp -92.29 -26.62 18.04 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.638 -0.425 . . . . 0.0 109.964 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -76.11 -21.89 56.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.233 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.36 -30.49 29.02 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.079 0.552 . . . . 0.0 112.128 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.628 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.2 -31.15 4.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.016 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' O ' ' HD3' ' A' ' 82' ' ' LYS . . . -57.81 -35.06 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 m -69.84 -11.5 60.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.379 . . . . 0.0 111.405 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -151.54 47.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 79' ' ' ALA . 4.2 pttm -69.35 86.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.819 0.819 . . . . 0.0 112.199 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.93 -32.45 23.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.252 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.588 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -83.25 170.39 14.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.374 -178.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -80.58 70.41 7.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.781 0.324 . . . . 0.0 110.516 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 3.2 p -97.7 120.8 47.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.19 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -147.79 122.18 9.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 m -114.91 140.96 48.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -146.76 137.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.542 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -132.21 -171.38 2.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.724 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -130.93 46.46 2.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.96 172.26 1.82 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 111.808 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.63 136.24 51.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.062 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.6 pt -57.85 145.53 8.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.005 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -122.2 139.34 53.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.885 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 96' ' ' LYS . 17.3 pttm -82.62 87.98 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.42 0.628 . . . . 0.0 110.604 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -158.05 144.4 17.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.044 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -81.56 90.38 6.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.225 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.76 64.0 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.256 0.55 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -77.64 127.94 33.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -83.41 82.45 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.345 0.593 . . . . 0.0 110.251 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.9 tp -130.46 128.97 64.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.802 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -140.0 119.16 12.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.288 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -81.42 -12.18 59.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.732 0.777 . . . . 0.0 108.945 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.176 -179.87 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.06 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -85.65 154.55 21.6 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -67.39 134.76 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.109 0.481 . . . . 0.0 111.17 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.9 ttt -114.08 140.46 48.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.854 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -83.91 125.53 32.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.42 -36.6 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -158.91 174.93 14.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.842 0.353 . . . . 0.0 111.332 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -144.99 172.54 12.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.301 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -100.51 -57.53 2.09 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.91 156.57 17.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.762 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -153.7 157.8 40.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.856 0.36 . . . . 0.0 110.647 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -140.47 131.99 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.181 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.8 t -136.01 130.06 32.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 41.1 mt -130.13 97.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 110.091 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.81 80.97 2.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.42 25.61 11.03 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.216 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.83 127.51 53.47 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 122.721 -0.282 . . . . 0.0 110.869 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttm 60.21 41.03 17.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.472 0.482 . . . . 0.0 111.528 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -175.79 -165.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.21 -88.43 0.2 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.7 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.667 ' HB3' HG23 ' A' ' 55' ' ' ILE . 48.0 tp -174.06 89.52 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.8 0.333 . . . . 0.0 110.309 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -100.12 103.93 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD12 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -126.25 152.57 45.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.985 0.422 . . . . 0.0 110.963 -179.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -148.8 133.27 17.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.138 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.6 tp -127.6 148.77 50.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.18 75.91 1.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.158 0.286 . . . . 0.0 110.575 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 35.9 t0 -156.35 159.59 38.91 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.533 0.206 . . . . 0.0 110.795 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.36 152.15 41.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.989 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.0 m 65.26 20.06 11.82 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.953 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.9 m -120.54 177.43 5.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.867 0.365 . . . . 0.0 110.524 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -101.48 115.81 31.35 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.577 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -109.62 24.85 12.5 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -177.129 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' HG3' HD22 ' A' ' 34' ' ' LEU . 4.2 pt-20 -60.98 -22.17 64.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.527 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 33' ' ' GLU . 3.5 mm? -67.02 -35.43 79.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.162 0.506 . . . . 0.0 109.724 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD11 HD12 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -77.05 -46.53 23.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.71 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -57.68 -40.08 78.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.363 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.95 -47.43 91.06 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.323 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.8 mm? -70.61 -29.96 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.333 . . . . 0.0 110.347 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -49.85 76.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.45 HD22 HD13 ' A' ' 74' ' ' LEU . 20.3 t-20 -74.33 -36.33 63.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.385 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.1 ttm -65.06 -51.94 58.62 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.52 -37.45 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 p -61.28 -40.31 93.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 111.38 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.2 mt -79.11 -29.86 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.89 -59.5 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.453 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.91 116.82 7.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.871 0.367 . . . . 0.0 111.374 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -136.81 23.37 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.466 0.65 . . . . 0.0 109.585 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.18 112.18 23.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.696 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -127.63 145.96 50.71 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.99 -28.77 36.4 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.279 -0.486 . . . . 0.0 111.912 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -77.92 -56.82 4.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.336 0.589 . . . . 0.0 109.977 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.68 93.51 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 103.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.411 0.624 . . . . 0.0 111.81 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -91.77 104.0 16.5 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.419 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.667 HG23 ' HB3' ' A' ' 21' ' ' LEU . 24.1 mt -103.2 86.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.308 0.575 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.0 m -105.99 105.25 15.2 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.043 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 23' ' ' LEU . 15.5 t -102.58 86.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.449 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -109.3 100.54 9.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.162 0.506 . . . . 0.0 110.446 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.48 93.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 3.9 mtpm? -81.46 89.96 6.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 23.6 mt -92.2 -84.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.329 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.85 -78.53 0.33 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -123.5 9.81 9.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.577 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -68.8 -28.84 67.12 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.912 -179.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.7 t80 60.21 88.33 0.08 Allowed 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.788 0.68 . . . . 0.0 110.907 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 tp -73.45 144.98 46.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -82.06 85.71 6.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -54.72 -36.49 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.218 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -58.74 -27.67 65.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.557 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 20.8 mt-30 -78.58 -48.89 14.27 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.562 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 21.1 mm-40 -65.73 -30.75 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.432 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.28 -46.7 79.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.184 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 17.6 pt20 -62.43 -31.75 72.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -90.37 -34.1 15.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.444 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.9 m -65.45 -31.2 72.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.756 0.312 . . . . 0.0 110.389 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.49 -20.98 59.39 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.075 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.73 -37.69 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.079 0.466 . . . . 0.0 110.695 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.4 mp -89.69 -25.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.001 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.76 -29.58 62.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.512 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -16.5 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.655 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -147.71 43.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 110.29 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -77.76 46.67 0.57 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.407 0.622 . . . . 0.0 111.981 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -77.21 -19.39 56.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.659 0.742 . . . . 0.0 109.21 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -69.03 174.27 4.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.289 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.19 70.73 10.57 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 8.4 p -98.82 132.91 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.918 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -147.53 98.98 3.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.807 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -102.24 134.74 45.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tt -160.52 124.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.228 0.537 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -114.41 176.88 4.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.765 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 60' ' ' LYS . 6.8 m -112.62 99.42 7.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.792 0.329 . . . . 0.0 110.561 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.91 -170.93 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.551 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -129.83 122.57 54.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 pt -68.54 102.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.331 0.586 . . . . 0.0 111.58 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -158.79 130.46 6.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.912 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -168.13 175.08 6.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.65 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -138.15 172.16 13.33 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.682 0.277 . . . . 0.0 110.552 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.1 34.38 0.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.317 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.83 50.89 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.058 0.456 . . . . 0.0 110.448 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -82.24 121.43 26.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.154 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -70.49 89.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.289 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.4 tp -150.59 139.81 15.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.977 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -158.14 92.48 1.17 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.252 0.549 . . . . 0.0 110.081 179.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.37 67.78 9.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.404 0.621 . . . . 0.0 110.618 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 118.142 -0.932 . . . . 0.0 109.629 179.508 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.076 -0.409 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 52.79 52.63 13.58 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.81 0.444 . . . . 0.0 111.649 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -133.55 -179.07 5.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.8 ptm -58.28 144.25 41.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.144 0.497 . . . . 0.0 111.604 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -99.23 166.16 11.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.505 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.83 179.15 4.42 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.357 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -76.23 168.79 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.542 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -156.41 160.12 39.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.187 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.38 -46.59 7.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.033 0.444 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -99.92 117.28 33.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.109 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -151.55 -171.88 4.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.729 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.74 129.27 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.594 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -151.27 139.92 20.7 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.576 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.45 121.57 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.94 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.153 0.501 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.01 48.33 0.59 Allowed Glycine 0 CA--C 1.507 -0.451 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 p -104.17 -70.97 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.68 28.03 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.972 0.415 . . . . 0.0 111.347 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -153.82 -152.4 0.41 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.44 -96.94 0.9 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.266 -0.969 . . . . 0.0 111.754 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.634 ' HB3' HG23 ' A' ' 55' ' ' ILE . 23.1 tp -152.64 98.63 2.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.074 0.464 . . . . 0.0 110.192 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -118.43 112.94 20.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.346 -0.388 . . . . 0.0 109.956 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -138.36 150.37 46.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 -178.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -141.52 108.62 5.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.112 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -107.12 128.67 54.6 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.45 106.56 9.28 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.944 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -163.23 -160.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 61' ' ' LEU . . . -153.94 131.65 11.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.377 -0.202 . . . . 0.0 110.776 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.8 m 65.73 15.7 10.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.646 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -97.61 143.78 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.766 0.317 . . . . 0.0 110.235 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -85.67 149.6 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.507 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' OD1' ' HD2' ' A' ' 64' ' ' ARG . 5.9 m-20 -77.81 24.41 0.22 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.622 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -60.11 -36.91 78.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.7 mt -96.72 9.94 40.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.966 0.412 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.586 HD12 HD23 ' A' ' 25' ' ' LEU . 3.8 tt -113.68 -55.48 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.227 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 31.2 t0 -58.75 -35.87 73.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.546 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.13 -38.11 60.41 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.781 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.58 -35.88 13.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.338 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 36' ' ' ASP . 5.0 tt0 -55.79 -56.6 18.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.65 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' ILE . 24.2 t-20 -61.92 -46.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.3 ttm -57.35 -53.65 55.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.424 -178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.88 -37.15 86.33 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.9 m -60.63 -27.97 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.998 0.428 . . . . 0.0 111.577 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 40' ' ' ASN . 3.6 mt -109.66 22.54 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.627 0.727 . . . . 0.0 109.819 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -124.03 -61.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.171 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.39 108.38 4.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -143.93 25.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.257 0.551 . . . . 0.0 110.183 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.46 88.63 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -47.62 11.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.03 -30.9 6.81 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.013 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.582 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -93.38 -37.98 11.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.889 0.344 . . . . 0.0 110.532 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.44 74.28 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.348 -0.929 . . . . 0.0 112.918 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -69.69 123.19 20.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.054 0.454 . . . . 0.0 110.39 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -106.32 127.23 53.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 21' ' ' LEU . 60.7 mt -117.06 91.57 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 m -125.51 117.13 22.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.032 0.444 . . . . 0.0 111.137 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.3 t -100.82 101.99 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.351 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.11 86.17 3.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.299 0.571 . . . . 0.0 109.747 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.49 93.52 3.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.993 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -98.0 61.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.516 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' ALA . 96.6 mt -99.95 -2.08 35.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.327 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.9 -123.97 31.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.041 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -79.78 59.5 3.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.451 0.643 . . . . 0.0 110.777 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HD2' ' OD1' ' A' ' 32' ' ' ASP . 14.9 ptt180 -63.53 -20.42 65.6 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.344 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 57.39 41.26 26.62 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.736 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' OD1' ' A' ' 32' ' ' ASP . 2.2 tp -102.72 152.4 21.27 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.27 98.26 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.214 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -35.85 75.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -64.88 -28.34 69.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.236 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -65.16 -41.61 94.54 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.198 0.523 . . . . 0.0 109.797 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 23.3 mt-10 -69.63 -37.22 76.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.602 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -62.32 -48.48 79.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.685 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -59.94 -29.89 68.7 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.6 pp -87.43 -33.06 19.2 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.689 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.2 m -68.81 -32.28 71.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.174 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 36.8 mm-40 -58.23 -23.42 55.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.89 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.0 -33.86 76.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.316 0.579 . . . . 0.0 110.009 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.24 -16.7 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.313 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -63.69 -18.46 64.02 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.867 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -74.12 -27.14 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.189 0.518 . . . . 0.0 110.042 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -121.03 40.84 3.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.162 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 16.0 pttm -77.75 53.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.652 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -82.26 -22.66 35.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 109.563 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.04 170.09 16.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.206 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.08 80.64 5.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.773 0.321 . . . . 0.0 110.927 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.558 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -100.42 124.9 54.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.553 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -147.75 104.82 3.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.35 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.9 m -117.18 127.75 54.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.298 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 tt -148.25 124.8 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.288 0.566 . . . . 0.0 110.706 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -110.47 160.84 16.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.857 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -88.65 58.56 4.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.61 151.47 44.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.78 111.27 34.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 0.0 109.92 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.4 tt -101.31 -4.04 9.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.178 0.513 . . . . 0.0 111.604 -178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.8 4.01 35.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.97 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -128.24 88.52 2.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.103 0.478 . . . . 0.0 110.741 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -98.52 137.38 37.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.833 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -88.0 95.36 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.924 0.393 . . . . 0.0 110.49 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.83 -0.19 46.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.16 143.62 50.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.308 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -89.48 74.73 7.68 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.798 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.2 tp -92.88 132.03 38.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.024 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -133.13 74.78 1.58 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.29 36.16 1.94 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.082 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.026 -179.275 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 112.19 -0.364 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -63.16 127.43 31.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.965 0.412 . . . . 0.0 110.968 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -145.88 125.64 13.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.083 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.4 ttm -79.16 134.66 36.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.451 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -124.64 164.58 19.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.34 -161.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.565 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -73.85 158.61 34.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 0.0 110.635 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 9.2 pttt -98.71 140.32 33.09 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.563 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -87.32 -60.8 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.022 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -129.27 105.18 7.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -108.79 138.67 44.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 p -137.29 134.47 47.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.936 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -150.69 144.75 25.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.212 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.2 mt -136.33 99.58 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.123 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.4 83.45 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.443 . . . . 0.0 110.383 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -127.32 88.34 0.34 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.615 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -162.29 -63.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 110.606 -179.548 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 17' ' ' THR . 31.9 mmtm -121.84 52.99 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -172.07 -166.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.822 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -89.81 0.64 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.047 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB3' HG23 ' A' ' 55' ' ' ILE . 14.8 tp -160.1 89.07 0.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 0.0 110.506 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.46 96.63 6.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -119.13 146.98 44.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -142.58 125.94 16.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.264 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 tp -125.96 121.92 34.47 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.47 69.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -139.18 133.82 31.93 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.086 -179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.69 159.1 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.59 0.233 . . . . 0.0 111.277 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m 56.42 49.53 14.8 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.912 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -162.39 -171.72 2.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 110.658 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -130.56 166.79 19.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.56 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -173.53 96.95 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.883 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.79 6.56 38.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.511 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -91.84 -38.32 12.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.93 -53.78 54.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.621 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.69 -32.77 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.944 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.54 -49.2 75.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.593 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.0 -41.89 81.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.199 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.86 71.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.298 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -68.01 -39.94 83.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.407 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.7 mmm -65.94 -48.93 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.894 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.498 HD13 ' HA3' ' A' ' 16' ' ' GLY . 53.4 mt -57.39 -42.83 82.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -61.17 -36.36 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.997 0.427 . . . . 0.0 111.075 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -80.71 -28.29 11.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.001 0.429 . . . . 0.0 110.498 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.33 -71.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.704 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.42 101.25 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.88 -5.16 38.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 109.696 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.56 103.98 16.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.811 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -107.6 -172.5 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.886 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.2 27.23 7.83 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.242 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -55.34 1.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.394 . . . . 0.0 110.753 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.08 91.54 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -54.52 95.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.755 0.788 . . . . 0.0 112.743 -178.579 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -91.04 91.57 8.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.163 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.578 HG23 ' HB3' ' A' ' 21' ' ' LEU . 32.3 mt -91.93 64.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.1 m -108.91 96.86 6.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.532 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.1 t -79.1 96.99 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -110.22 96.63 6.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.571 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.59 149.48 13.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.264 0.554 . . . . 0.0 111.068 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' OG ' ' A' ' 91' ' ' SER . 3.8 ttmt -120.43 68.63 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.503 ' HB3' ' CB ' ' A' ' 64' ' ' ARG . 19.5 mt -85.07 -29.32 25.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.205 -177.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.581 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 68.21 -101.31 0.73 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.905 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -109.18 17.61 21.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.106 0.479 . . . . 0.0 110.264 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.7 ttt180 -60.19 -33.75 72.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.441 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.2 t80 61.73 85.23 0.12 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.482 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 tp -93.72 158.69 15.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.314 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -75.68 75.16 2.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.177 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -54.25 -30.3 49.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.016 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -54.08 -41.07 67.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 12.8 mm100 -68.73 -44.14 74.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 31.6 mt-10 -65.61 -41.56 92.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.993 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -64.12 -46.34 84.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.534 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.1 pt20 -64.3 -32.2 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.5 pp -83.83 -31.2 25.95 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.93 -0.481 . . . . 0.0 110.756 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.9 m -67.72 -30.97 70.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.739 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.48 -30.14 39.54 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.27 -36.91 82.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.23 -18.36 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -62.29 -34.66 77.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.399 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -68.91 -17.32 63.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.283 0.563 . . . . 0.0 111.21 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -134.14 41.2 2.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.579 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 79' ' ' ALA . 1.0 OUTLIER -75.58 55.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.481 -179.159 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -85.43 -16.97 37.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' H ' HD22 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -79.62 172.26 14.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.43 179.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -83.87 74.12 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.977 0.418 . . . . 0.0 110.538 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.7 p -97.56 137.41 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.733 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -159.19 88.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.607 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.71 130.92 39.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -157.81 149.19 9.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 111.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -130.19 152.69 49.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.581 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 2.1 m -84.48 53.78 2.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.047 0.451 . . . . 0.0 109.96 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -45.93 133.95 8.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.891 -1.049 . . . . 0.0 112.712 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.3 p -68.81 158.18 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.258 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.6 pt -68.55 159.2 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.658 0.266 . . . . 0.0 110.663 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m 60.61 54.69 3.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.673 0.749 . . . . 0.0 110.707 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -131.23 101.1 5.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.382 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -123.84 134.45 53.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.994 0.426 . . . . 0.0 111.146 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -88.85 60.98 5.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.124 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.41 84.67 2.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.676 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -137.85 154.19 49.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.298 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -80.07 96.33 6.45 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.8 tt -155.32 144.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.16 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -150.65 142.35 23.67 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.79 9.8 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.115 0.483 . . . . 0.0 110.874 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.074 -0.41 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -95.86 -179.3 4.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.09 0.472 . . . . 0.0 110.488 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -154.06 130.41 10.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -65.18 113.7 4.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.73 146.61 52.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.58 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -81.68 -153.07 0.1 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.246 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' H ' HG22 ' A' ' 6' ' ' THR . 12.1 ptmt -59.92 144.82 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 111.461 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.92 146.02 38.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.33 -38.51 5.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -127.67 106.63 9.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.033 0.444 . . . . 0.0 111.029 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -129.78 158.66 38.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.22 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.08 142.12 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 t -155.46 142.62 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.8 mt -132.97 135.09 57.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.069 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -129.79 93.05 3.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.316 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.583 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -138.04 72.94 0.43 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.796 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -142.98 -70.27 0.33 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.866 0.365 . . . . 0.0 110.194 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.52 ' H ' HG23 ' A' ' 17' ' ' THR . 13.6 ttpp -101.99 27.88 6.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 109.128 179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.84 -171.74 4.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.802 -178.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -104.76 0.18 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.566 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.677 ' HB3' HG23 ' A' ' 55' ' ' ILE . 45.8 tp -144.87 86.67 1.8 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.202 0.525 . . . . 0.0 110.5 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 HG23 ' OG ' ' A' ' 56' ' ' SER . 7.2 m -105.65 111.72 24.51 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.084 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.32 142.44 50.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.064 0.459 . . . . 0.0 110.637 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -131.13 121.17 24.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.781 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD13 ' H ' ' A' ' 27' ' ' ASP . 1.7 tm? -129.25 120.76 26.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.15 38.47 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.159 0.504 . . . . 0.0 110.617 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.582 ' H ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -103.2 123.58 47.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.406 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.11 133.31 45.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.934 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.6 m 56.74 42.3 26.96 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.683 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -125.32 179.35 5.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.711 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -80.14 107.26 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.442 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -86.78 -2.22 58.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.667 -179.223 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.0 -39.89 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.829 0.347 . . . . 0.0 111.255 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.66 -18.37 65.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.267 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.2 tp -92.56 -52.15 4.78 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.184 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -40.19 78.03 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.598 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.18 -55.27 25.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.505 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.62 -37.6 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.638 0.256 . . . . 0.0 110.493 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.24 -55.44 31.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.809 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -66.1 -42.1 89.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.089 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 48.3 tpp -59.09 -57.08 14.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.205 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.583 HD13 ' HA3' ' A' ' 16' ' ' GLY . 63.0 mt -65.25 -28.44 69.35 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -64.95 -14.51 60.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.714 0.292 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -118.21 -35.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 110.281 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -64.14 -52.13 60.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.637 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.4 106.7 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.563 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -138.26 24.75 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.279 0.561 . . . . 0.0 110.398 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -132.78 93.6 3.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -88.61 -40.35 13.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.532 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.25 61.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.112 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.73 26.6 15.71 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.666 0.387 . . . . 0.0 111.981 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -147.31 30.8 1.44 Allowed Glycine 0 CA--C 1.507 -0.456 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.351 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.37 118.18 17.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.926 0.393 . . . . 0.0 111.293 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -98.69 113.31 25.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.245 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' A' ' 21' ' ' LEU . 45.0 mt -107.84 75.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.508 0.671 . . . . 0.0 109.352 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.402 ' OG ' HG23 ' A' ' 22' ' ' THR . 11.2 p -98.21 104.56 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.043 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.65 94.27 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.716 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -96.62 78.71 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.499 . . . . 0.0 110.252 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -93.62 91.3 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.984 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -95.57 62.26 2.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.841 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 32' ' ' ASP . 17.1 mt -75.04 -9.59 58.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.092 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.458 ' H ' ' HB2' ' A' ' 91' ' ' SER . . . 63.96 -135.9 40.67 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.472 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -86.65 34.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 111.321 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -31.47 72.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 t80 62.42 84.81 0.13 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.89 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.6 tp -115.3 158.92 21.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.431 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -74.01 81.53 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.0 110.282 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -54.37 -41.58 69.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.934 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.46 -42.81 88.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.596 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 16.7 mt-30 -68.81 -33.39 73.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.583 -179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.39 -29.75 42.19 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.54 0.686 . . . . 0.0 109.782 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 19.6 tt0 -75.09 -40.92 59.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.056 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 13.9 pt20 -56.39 -39.08 72.38 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.98 -31.22 62.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.282 0.563 . . . . 0.0 109.508 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.5 m -71.32 -28.8 64.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' ' 79' ' ' ALA . 49.4 mt-10 -55.97 -26.55 48.71 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.6 mp -59.39 -42.56 91.99 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 mp -91.17 -30.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.002 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.655 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . . . -62.76 -32.48 73.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.4 m -66.4 -14.57 62.34 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.32 45.57 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -72.56 58.46 0.42 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.506 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -82.04 -10.8 59.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.381 0.61 . . . . 0.0 110.178 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -93.31 171.19 9.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.546 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -80.99 75.64 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.058 0.456 . . . . 0.0 110.407 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.34 130.76 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -143.8 101.59 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.712 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -98.27 130.17 44.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 tt -141.13 118.74 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.227 0.537 . . . . 0.0 110.828 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.419 ' HA ' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -101.52 175.95 5.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.968 179.541 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.458 ' HB2' ' H ' ' A' ' 62' ' ' GLY . 74.8 m -109.47 43.63 1.28 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.593 0.235 . . . . 0.0 111.159 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -62.99 132.12 50.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 95' ' ' THR . 8.2 p -111.12 149.14 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.185 -178.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 13.1 pt -89.86 5.07 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.656 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 93' ' ' VAL . 5.1 m -78.18 86.01 4.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.262 0.553 . . . . 0.0 110.034 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -125.89 145.52 50.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.137 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -104.37 157.25 17.28 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -66.05 132.0 47.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.968 0.414 . . . . 0.0 110.513 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.29 66.75 0.71 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.221 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -73.62 129.9 38.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.897 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -83.17 89.6 6.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.215 0.531 . . . . 0.0 110.642 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.0 tt -141.17 114.87 4.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.231 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.487 ' HD2' ' OE2' ' A' ' 105' ' ' GLU . 13.6 mmt180 -128.05 112.92 15.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -84.09 37.86 0.63 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.462 0.649 . . . . 0.0 109.937 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.487 ' OE2' ' HD2' ' A' ' 103' ' ' ARG . 38.8 mt-10 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.949 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -116.35 -179.7 3.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.887 0.375 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -160.16 118.76 2.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.9 mtt -97.73 173.63 7.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.92 0.39 . . . . 0.0 111.261 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -93.02 114.19 26.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.876 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -52.03 7.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.211 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -123.31 156.12 35.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.741 0.305 . . . . 0.0 110.791 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.85 152.84 33.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.944 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -93.45 -59.06 2.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.634 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -108.22 133.32 52.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.535 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -140.03 136.01 33.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -140.83 139.52 34.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.914 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.466 HG23 ' HB3' ' A' ' 24' ' ' HIS . 1.7 t -157.85 127.48 5.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.386 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mt -127.41 142.21 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.722 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -148.75 161.13 42.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.568 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.75 -37.02 0.18 Allowed Glycine 0 C--O 1.223 -0.538 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.119 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -53.52 -18.64 2.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.62 32.35 5.33 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.116 -0.365 . . . . 0.0 111.223 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.444 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 8.4 t-20 -177.72 -141.85 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.157 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.01 -74.55 1.12 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 55' ' ' ILE . 18.5 tp -157.74 109.99 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.842 0.353 . . . . 0.0 110.096 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.68 100.76 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.54 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.9 pt? -129.14 137.84 51.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 111.27 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.466 ' HB3' HG23 ' A' ' 13' ' ' THR . 11.6 t60 -138.95 124.98 19.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.567 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -131.89 128.13 37.93 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.654 0.264 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -116.64 105.38 12.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.123 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' O ' ' HA ' ' A' ' 61' ' ' LEU . 3.8 t70 -165.8 -168.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.65 137.32 7.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.62 0.248 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.6 m 66.04 11.18 7.58 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.173 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 m -103.51 157.15 17.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.871 0.367 . . . . 0.0 110.751 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -81.93 139.29 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' OD2' ' HD2' ' A' ' 64' ' ' ARG . 1.7 p30 -99.1 19.56 15.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.473 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 34' ' ' LEU . 6.3 pt-20 -59.29 -38.58 80.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 110.862 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 tp -68.5 -22.81 64.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.38 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 tp -85.06 -41.67 15.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -60.16 -38.24 82.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.544 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.34 49.96 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 121.08 -0.581 . . . . 0.0 112.03 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.4 mm? -76.3 -40.96 50.2 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.499 ' HG3' HD21 ' A' ' 21' ' ' LEU . 22.5 tt0 -55.65 -48.95 74.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.22 0.533 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.42 HD21 HD22 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -67.5 -48.41 67.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.159 -179.537 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.0 ttt -59.72 -55.66 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.47 -44.95 89.51 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.2 m -59.01 -29.61 67.38 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.4 mt -96.91 -26.49 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.069 0.461 . . . . 0.0 111.034 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -78.37 -59.31 2.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.911 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -149.91 91.43 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.981 0.419 . . . . 0.0 111.359 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -101.38 -7.21 23.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.383 0.611 . . . . 0.0 110.015 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.85 126.2 32.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.138 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' OD1' ' HA ' ' A' ' 19' ' ' ASN . 16.2 t70 -104.6 -54.1 2.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.03 0.443 . . . . 0.0 110.012 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.3 -28.61 11.45 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.422 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -47.88 3.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.79 79.88 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.385 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -66.94 120.11 13.05 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.327 0.584 . . . . 0.0 111.292 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -110.96 132.9 53.82 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.969 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 21' ' ' LEU . 39.8 mt -112.77 76.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -96.64 109.09 21.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.535 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' A' ' 88' ' ' SER . 12.7 t -101.65 97.14 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -109.39 100.79 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.335 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.52 118.59 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.931 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -105.02 34.07 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.972 0.415 . . . . 0.0 110.52 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 90.8 mt -70.76 -27.98 64.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.473 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.616 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 76.33 -83.29 0.99 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.132 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -106.8 52.23 0.72 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.046 0.45 . . . . 0.0 111.336 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.563 ' HD2' ' OD2' ' A' ' 32' ' ' ASP . 13.7 ptt180 -68.46 -26.84 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.3 t80 55.73 39.3 30.8 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.627 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.6 tp -87.02 142.7 27.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.05 106.07 2.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.289 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -21.15 63.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.405 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.74 -35.18 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.396 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 4.3 mm100 -66.97 -41.06 87.49 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 13.1 mm-40 -74.58 -38.7 62.58 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -52.66 64.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.225 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.6 pp0? -56.39 -32.39 64.76 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.8 pp -88.26 -31.5 18.99 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -69.14 -29.05 67.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.797 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 72' ' ' GLU . 95.5 mt-10 -51.03 -34.24 28.66 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.807 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.4 -42.88 99.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.749 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.27 -30.79 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.999 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -34.13 71.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.741 0.305 . . . . 0.0 111.666 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.7 m -70.42 -5.46 28.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -154.23 46.9 0.59 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -79.33 61.23 3.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.49 0.662 . . . . 0.0 112.129 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.324 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.537 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -74.98 160.49 30.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.794 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.31 78.93 4.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.483 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.99 143.6 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.161 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -159.46 97.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.093 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.432 ' HA ' ' HB ' ' A' ' 57' ' ' VAL . 1.4 m -105.29 125.47 51.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.253 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.9 tt -154.91 132.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.433 0.635 . . . . 0.0 111.754 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -129.99 143.9 51.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.616 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 4.6 m -71.4 83.56 0.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.2 141.13 30.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.263 0.554 . . . . 0.0 110.558 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.78 -14.35 7.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.572 0.701 . . . . 0.0 109.32 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.9 tp -165.33 138.57 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.188 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.8 m -83.92 -37.72 21.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -140.16 122.89 16.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.575 0.226 . . . . 0.0 110.915 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -149.29 118.02 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -86.21 85.14 7.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.144 0.497 . . . . 0.0 111.243 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.86 95.22 5.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.167 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -76.01 118.35 18.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.973 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -66.93 108.13 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 0.0 110.441 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.0 tp -145.0 135.71 19.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.817 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -123.21 140.85 52.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.919 0.39 . . . . 0.0 110.193 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.62 14.42 23.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.852 0.834 . . . . 0.0 109.473 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--O 1.247 0.969 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.182 -179.125 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.35 120.83 15.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.341 . . . . 0.0 110.681 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -157.13 165.82 34.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.748 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -76.47 149.74 36.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.068 0.461 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -93.93 124.54 38.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.377 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -170.82 3.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.635 179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -64.33 154.88 34.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.985 0.421 . . . . 0.0 111.639 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.82 163.1 38.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.899 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -100.21 -57.71 2.07 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.136 0.493 . . . . 0.0 110.602 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -88.84 117.24 27.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.136 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -159.6 171.05 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -149.41 151.55 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.417 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -149.76 140.11 22.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -132.84 110.55 15.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.334 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -106.94 94.11 4.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.454 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -136.65 70.04 0.5 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -144.82 122.39 11.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.712 0.292 . . . . 0.0 110.952 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? 56.63 29.0 14.9 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.444 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 49' ' ' ASP . 4.6 t-20 -159.6 -148.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -90.68 -115.22 1.77 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.961 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HB3' HG23 ' A' ' 55' ' ' ILE . 49.9 tp -153.57 96.83 2.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.207 0.527 . . . . 0.0 110.297 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -112.95 99.64 8.03 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.541 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.6 pt? -130.68 154.39 47.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.56 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -154.35 128.69 9.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.275 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.0 tp -114.93 140.18 49.21 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.706 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.67 83.55 2.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.171 0.51 . . . . 0.0 109.662 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.74 126.39 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.385 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.62 150.43 23.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.524 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.8 m 73.26 -2.85 2.61 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.432 0.693 . . . . 0.0 112.79 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -110.05 150.39 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.214 -0.304 . . . . 0.0 110.472 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -88.11 136.41 32.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.965 0.412 . . . . 0.0 110.693 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 35' ' ' LEU . 11.7 p-10 -89.56 51.93 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.387 0.613 . . . . 0.0 111.189 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.29 -24.12 67.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.586 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.16 -1.77 56.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.105 0.478 . . . . 0.0 110.539 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 32' ' ' ASP . 7.2 tp -101.91 -48.98 4.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.168 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -36.7 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 41' ' ' MET . . . -61.59 -48.31 85.34 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.186 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.9 -40.82 83.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.928 0.394 . . . . 0.0 110.296 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -51.58 68.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.567 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -72.73 -40.35 66.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.481 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 2.6 tmm? -59.78 -51.96 67.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.269 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.454 HD13 ' HA3' ' A' ' 16' ' ' GLY . 90.2 mt -66.58 -37.62 85.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.1 m -68.17 -14.14 62.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.934 0.397 . . . . 0.0 111.886 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.0 mt -105.94 -34.51 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.017 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -74.69 -69.47 0.46 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 111.596 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.53 116.43 5.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.056 0.455 . . . . 0.0 111.063 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.79 8.8 4.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.288 0.566 . . . . 0.0 109.722 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.497 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 3.2 m -100.21 89.96 4.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.662 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' CB ' ' HA ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -72.87 -43.64 62.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.135 179.543 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.41 -8.14 32.56 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.806 -0.712 . . . . 0.0 114.088 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 2.9 mppt? -135.68 25.68 3.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 118.157 0.978 . . . . 0.0 112.041 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.76 83.9 1.75 Allowed Glycine 0 C--N 1.315 -0.597 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' NE2' ' HA ' ' A' ' 48' ' ' THR . 1.5 pm0 -77.55 139.22 39.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.045 0.45 . . . . 0.0 111.24 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 85.9 tttt -104.89 107.54 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.677 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.659 HG23 ' HB3' ' A' ' 21' ' ' LEU . 10.0 mt -107.13 64.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.29 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -95.62 100.36 12.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.156 0.503 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 88' ' ' SER . 49.1 t -88.4 97.57 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.389 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 64.3 m170 -99.82 92.22 5.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.999 0.428 . . . . 0.0 111.071 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -95.79 80.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.467 0.651 . . . . 0.0 110.587 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -85.36 69.69 10.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.121 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.2 -79.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.1 0.476 . . . . 0.0 110.312 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.77 -105.2 0.34 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.113 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -100.72 25.58 7.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.845 0.355 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -72.08 -33.15 67.68 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 57.22 62.42 2.2 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.809 0.693 . . . . 0.0 110.2 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 tp -67.54 156.19 37.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.014 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -72.93 86.29 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.098 0.475 . . . . 0.0 110.453 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.02 -45.57 71.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.798 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -54.23 -37.09 64.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.671 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.598 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 11.5 mt-30 -66.43 -45.62 79.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.855 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.0 mm-40 -73.27 -33.32 65.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.181 0.515 . . . . 0.0 109.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -65.28 -48.69 72.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.164 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.3 pp0? -58.16 -32.78 68.52 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.6 pp -82.64 -32.72 28.1 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.317 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.3 m -73.65 -27.75 61.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.289 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -49.18 -36.97 21.07 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.978 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.75 -52.18 66.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.116 0.484 . . . . 0.0 110.69 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mp -75.88 -30.78 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.964 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.71 -24.27 65.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.98 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.7 m -65.81 -30.31 70.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 0.0 110.754 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -137.26 48.52 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.623 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -72.21 78.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.324 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.68 -3.98 57.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.852 0.834 . . . . 0.0 109.336 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.496 HD22 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -95.19 172.07 8.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.034 -179.36 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 77.6 m-85 -85.99 67.64 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.4 p -99.62 124.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.289 0.566 . . . . 0.0 111.552 -178.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -155.26 126.1 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.269 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 11.0 m -117.58 140.78 49.18 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.663 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.1 tt -147.5 135.86 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 0.3 OUTLIER -111.66 -171.85 1.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.482 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.8 m -128.0 56.69 1.58 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.089 -0.382 . . . . 0.0 111.616 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.02 170.9 12.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.196 0.522 . . . . 0.0 111.158 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.6 p -121.63 -20.62 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.796 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.6 tt -148.97 122.05 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.081 0.467 . . . . 0.0 110.315 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -89.35 105.26 17.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.542 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -155.88 148.12 23.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.818 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -148.81 127.48 12.47 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -71.38 92.78 1.09 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.998 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.21 67.0 9.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.628 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -87.54 145.86 26.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.954 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -78.07 82.38 4.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.082 0.468 . . . . 0.0 111.275 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.8 tt -135.34 106.18 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.31 123.72 50.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.523 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HG2' ' HG2' ' A' ' 105' ' ' GLU . 7.2 pm0 -81.5 -21.35 38.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.27 0.557 . . . . 0.0 109.574 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.453 ' HG2' ' HG2' ' A' ' 104' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.835 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m 58.19 65.12 1.34 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.211 0.529 . . . . 0.0 111.205 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -133.94 151.35 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.294 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.55 149.36 27.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.776 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -108.46 115.66 30.52 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.08 169.14 12.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.58 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -63.7 150.93 43.26 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -146.27 166.1 27.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.492 -179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -97.34 -25.97 15.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.653 0.264 . . . . 0.0 110.62 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.8 141.82 23.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.412 ' HB2' ' HE3' ' A' ' 8' ' ' LYS . 3.4 t80 -153.45 153.48 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.505 0.193 . . . . 0.0 110.638 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.83 137.07 31.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.003 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.6 t -155.49 141.82 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.511 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mt -136.57 121.29 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.1 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.02 100.35 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.45 29.61 4.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.211 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 t -121.57 139.53 53.39 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mttt 56.28 34.41 23.99 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.516 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -175.13 -139.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.229 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.558 ' CA ' ' HB2' ' A' ' 53' ' ' GLN . . . -104.11 -101.21 2.65 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.934 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 39' ' ' GLN . 61.8 tp -160.08 97.41 1.26 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.082 0.467 . . . . 0.0 110.694 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 m -111.48 114.84 28.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.682 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -133.87 149.6 51.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.401 -179.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 12.5 t-160 -158.6 126.52 5.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.563 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.8 tp -126.95 131.99 50.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -112.45 81.18 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.698 0.285 . . . . 0.0 110.89 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -151.19 123.7 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.15 142.61 27.79 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 70.3 m 56.27 66.82 1.1 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.728 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 172.68 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -112.01 100.8 9.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.4 0.619 . . . . 0.0 109.468 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -81.29 45.05 0.82 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.503 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -58.21 -36.42 73.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.361 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.94 -33.46 72.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' HG ' HD12 ' A' ' 23' ' ' LEU . 11.0 tp -70.68 -47.92 57.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -62.97 -40.03 96.48 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.44 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.87 -48.1 87.74 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.783 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.28 -36.86 85.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.046 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -57.76 -48.04 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.237 179.119 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -67.98 -45.67 73.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.452 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 ttt -57.46 -55.51 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.97 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.69 -37.92 85.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 t -60.95 -35.61 77.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 111.079 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.56 -35.62 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.1 -68.02 0.36 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.174 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.57 129.47 6.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 0.0 111.606 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -132.83 12.15 4.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.611 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.44 88.33 7.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.662 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.4 -59.56 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.6 -36.2 2.27 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.79 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 28.74 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.224 0.535 . . . . 0.0 111.231 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.83 114.81 3.77 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.879 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.558 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 1.6 pm0 -104.1 147.19 27.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.233 0.54 . . . . 0.0 111.322 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -103.7 104.62 14.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.115 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 18.3 mt -102.32 67.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.798 0.809 . . . . 0.0 108.902 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.8 m -98.28 99.83 11.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.665 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 88' ' ' SER . 18.8 t -86.84 91.07 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.547 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 13.4 m-70 -97.03 81.83 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.873 0.368 . . . . 0.0 111.338 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.12 73.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.662 0.744 . . . . 0.0 109.964 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.452 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.8 mtpt -79.73 59.44 3.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.561 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.2 mp -80.38 -78.09 0.18 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.223 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 119.73 95.86 1.6 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.245 -0.979 . . . . 0.0 112.181 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 61.96 47.03 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.448 0.642 . . . . 0.0 110.357 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.508 ' NH1' HD22 ' A' ' 66' ' ' LEU . 20.9 ptt180 -83.34 -32.64 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.0 t80 52.95 61.95 2.93 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.685 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD22 ' NH1' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -89.31 -169.28 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.166 -179.294 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -86.62 80.95 8.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.272 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -59.47 -32.22 70.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -179.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -58.87 -43.7 90.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.411 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 20.3 mt-30 -66.58 -41.09 89.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.632 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.475 ' OE1' ' HA ' ' A' ' 68' ' ' LYS . 35.1 mt-10 -63.4 -49.94 71.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.642 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.2 -44.74 94.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp0? -59.87 -38.7 82.93 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -33.86 58.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.926 0.393 . . . . 0.0 110.128 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -68.49 -32.52 72.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.787 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -57.94 -34.16 69.6 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.485 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.33 -29.28 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 110.947 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.5 mt -100.25 -25.07 3.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.724 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.6 -24.27 67.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -12.38 61.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.365 0.602 . . . . 0.0 110.422 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -149.12 45.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.951 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.65 59.52 0.46 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.348 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -86.15 -11.96 51.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.67 0.747 . . . . 0.0 109.397 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 ' OE1' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -84.0 170.05 14.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.156 179.707 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -89.49 72.72 7.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.345 0.593 . . . . 0.0 110.259 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 6.7 p -98.79 136.12 31.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.624 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.23 109.95 1.03 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -101.27 150.12 23.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.047 179.529 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.0 tt -150.71 129.81 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 111.089 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.82 171.83 7.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.42 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.497 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 50.8 m -124.74 33.03 5.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.322 0.582 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -81.7 149.19 28.6 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.507 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.33 -10.84 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.263 0.554 . . . . 0.0 110.744 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.6 mt -72.14 112.4 7.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.745 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.7 t -102.26 -6.21 23.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.281 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -81.83 172.14 13.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.353 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -138.72 141.34 38.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.551 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -90.89 105.69 18.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.041 0.448 . . . . 0.0 110.826 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.37 59.19 5.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -106.45 136.57 45.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.068 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -88.55 78.34 7.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.383 0.611 . . . . 0.0 110.376 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 tt -114.53 108.49 25.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.261 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.25 121.43 14.81 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.854 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -95.22 13.23 26.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.346 0.593 . . . . 0.0 110.068 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.842 -179.813 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.42 121.22 28.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.847 0.356 . . . . 0.0 110.051 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -115.32 129.79 56.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.679 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.3 ptm -86.04 165.23 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.088 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -89.62 89.38 7.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.792 0.33 . . . . 0.0 110.505 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.52 -170.26 2.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -76.34 162.44 27.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HG3' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -148.97 175.23 11.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.668 -179.075 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -92.15 -67.54 0.85 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -124.47 141.53 52.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.742 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' HB2' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -168.66 167.21 11.48 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.911 0.386 . . . . 0.0 111.504 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -152.08 135.6 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.83 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -148.29 135.52 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mt -126.74 133.22 69.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.543 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -135.85 106.58 6.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.118 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.665 ' HA3' HD13 ' A' ' 42' ' ' LEU . . . -146.09 67.84 0.4 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.374 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -148.55 125.23 11.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 58.55 33.51 23.16 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.25 -159.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.851 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.89 -97.99 0.92 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.919 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.823 ' HB3' HG23 ' A' ' 55' ' ' ILE . 43.8 tp -164.37 104.57 0.85 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.855 0.359 . . . . 0.0 110.124 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -122.4 115.1 21.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.097 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.437 HD21 ' HG2' ' A' ' 39' ' ' GLN . 2.8 pp -149.81 166.26 30.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.914 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.561 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 16.5 p80 -162.61 137.77 6.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.457 178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -124.64 120.97 33.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.93 83.73 1.87 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.776 0.322 . . . . 0.0 110.732 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -163.28 124.77 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.532 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.76 157.82 17.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.88 0.372 . . . . 0.0 111.803 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.0 m 58.5 56.4 4.34 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.982 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.74 167.78 26.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.357 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -111.13 111.75 23.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.048 0.451 . . . . 0.0 110.041 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.45 45.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.534 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -63.33 -44.68 94.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.67 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.44 -35.24 79.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.392 . . . . 0.0 110.461 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 19.9 tp -63.41 -47.88 80.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.761 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.55 ' HA ' ' NE2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -58.89 -39.56 81.83 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.708 179.218 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.78 -41.26 97.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.773 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.29 -42.88 92.67 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.55 ' NE2' ' HA ' ' A' ' 36' ' ' ASP . 18.9 mt-30 -54.12 -50.57 66.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.628 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -64.47 -54.05 38.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.668 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.1 ttm -55.29 -50.02 70.62 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.665 HD13 ' HA3' ' A' ' 16' ' ' GLY . 95.1 mt -61.88 -41.61 98.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 m -62.94 -37.69 88.06 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.514 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.8 mt -81.48 -21.76 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.322 0.582 . . . . 0.0 110.45 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.98 -51.73 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -153.78 155.76 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.756 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -153.61 -31.64 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.139 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.08 90.59 7.07 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.674 0.273 . . . . 0.0 110.506 179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -66.93 -52.37 43.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.663 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.86 -11.24 7.85 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.557 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -151.73 28.82 0.61 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 118.157 0.979 . . . . 0.0 112.255 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.7 92.96 2.14 Favored Glycine 0 C--N 1.319 -0.361 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.213 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -80.8 137.4 36.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.414 0.626 . . . . 0.0 111.8 -179.068 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 81.1 tttt -108.52 112.55 24.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.547 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.823 HG23 ' HB3' ' A' ' 21' ' ' LEU . 17.7 mt -107.93 63.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.714 0.768 . . . . 0.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m -89.02 92.47 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 88' ' ' SER . 47.1 t -86.39 93.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.635 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.561 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 40.1 m170 -107.87 112.6 25.3 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.577 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -108.39 117.46 53.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.823 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HA ' ' OG ' ' A' ' 91' ' ' SER . 1.1 mtpt -112.26 48.11 1.01 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.301 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mp -76.38 -77.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.38 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 91' ' ' SER . . . 107.47 122.25 4.81 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.301 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 p30 44.22 39.73 3.15 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 112.18 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -24.87 62.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 110.201 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 57.17 31.81 20.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.364 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.9 155.06 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.828 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.02 80.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.067 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -50.48 -26.26 4.93 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.986 0.914 . . . . 0.0 112.904 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -66.63 -20.94 66.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.436 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 2.7 tt0 -65.97 -48.9 69.73 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.776 0.322 . . . . 0.0 111.748 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 mp0 -71.23 -31.16 67.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.337 0.589 . . . . 0.0 109.809 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -46.42 77.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.061 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp0? -59.31 -26.24 64.83 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 2.3 pp -91.88 -34.26 14.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.536 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.3 m -71.09 -29.8 65.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.707 0.289 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.17 -24.24 66.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 77' ' ' LEU . 3.2 mm? -72.41 -21.6 61.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 0.0 110.191 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.1 mt -101.0 -20.4 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.56 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.59 -22.26 66.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.635 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.68 62.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 110.194 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 46.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.122 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -70.67 68.08 0.39 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.547 -179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -94.68 -10.67 31.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.688 0.756 . . . . 0.0 109.385 178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.578 ' H ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -80.05 161.27 25.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.196 -179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.458 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 35.5 m-85 -82.75 62.61 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 7.2 p -90.01 140.3 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.007 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 106.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.606 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.629 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -98.98 150.22 22.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.502 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 tt -163.73 142.13 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 50.1 t0 -130.89 167.71 18.52 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.426 ' O ' ' HA2' ' A' ' 62' ' ' GLY . 1.6 m -101.73 99.83 10.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.94 0.4 . . . . 0.0 110.856 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.66 149.88 37.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.282 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.6 p -114.43 -2.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.453 0.645 . . . . 0.0 110.372 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 95' ' ' THR . 7.9 tp -158.03 153.61 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.031 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.419 ' N ' HG13 ' A' ' 94' ' ' ILE . 14.8 t -74.93 166.63 23.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.29 156.09 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.432 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -83.27 -174.99 5.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.358 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -79.14 129.58 34.6 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -150.28 70.48 1.03 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.655 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -82.76 150.63 26.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.377 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -83.93 65.49 8.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.256 0.55 . . . . 0.0 110.967 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.7 tt -107.91 106.27 20.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.01 127.81 23.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.684 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -105.15 1.59 28.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.214 0.531 . . . . 0.0 110.043 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.497 -0.764 . . . . 0.0 110.217 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m 58.05 60.98 2.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.148 0.499 . . . . 0.0 111.556 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -86.51 159.25 19.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ttm -152.75 141.32 20.83 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.355 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -84.59 78.22 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.315 0.579 . . . . 0.0 109.453 178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -78.73 175.06 10.8 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.454 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -79.09 167.55 20.89 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.757 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -145.49 165.68 27.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.244 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -80.78 -46.26 15.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.437 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -108.69 119.45 39.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.395 179.527 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -149.71 164.05 36.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.168 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.84 144.06 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.656 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -157.05 130.12 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.9 mt -117.03 125.41 73.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.039 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tmmt? -121.25 102.93 8.61 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.945 0.402 . . . . 0.0 110.452 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.76 48.36 0.97 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.05 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -127.95 132.82 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.48 43.48 30.27 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.233 0.54 . . . . 0.0 110.366 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -176.27 -146.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.867 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.12 -90.88 2.2 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.825 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.62 ' HB3' HG23 ' A' ' 55' ' ' ILE . 57.8 tp -161.52 100.07 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.949 0.404 . . . . 0.0 110.62 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 114.2 23.22 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.882 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 57' ' ' VAL . 3.6 pp -142.6 165.72 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.671 ' HA ' ' O ' ' A' ' 58' ' ' HIS . 47.0 p-80 -161.19 142.96 11.91 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.156 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tt -134.2 143.88 48.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -127.74 91.79 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.283 0.364 . . . . 0.0 110.884 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -171.56 118.08 0.43 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.334 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.9 151.64 23.14 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.2 m 59.08 48.55 10.5 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.109 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 m -138.47 147.26 43.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.288 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -91.86 99.36 12.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.166 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -80.29 39.03 0.44 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.543 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.9 -23.08 64.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.176 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.04 -24.85 62.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.746 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.16 -30.42 67.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.99 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -61.83 -35.95 79.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.984 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.83 -53.15 41.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.2 -0.524 . . . . 0.0 112.472 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.58 -42.73 70.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -57.22 -48.83 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' ASP . 0.5 OUTLIER -66.66 -51.11 59.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.221 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.4 ttt -58.48 -44.87 89.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.188 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 53.3 mt -63.94 -35.34 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -34.16 76.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.156 0.503 . . . . 0.0 110.394 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.5 mt -84.77 -34.09 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.02 -67.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.228 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.71 136.73 16.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.002 0.43 . . . . 0.0 111.522 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -128.38 -13.65 4.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.22 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -96.86 87.02 4.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.448 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -49.92 75.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 110.303 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.96 -55.58 0.52 Allowed Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.345 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -140.58 25.6 2.18 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 146.66 109.86 0.6 Allowed Glycine 0 C--N 1.32 -0.336 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.746 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -112.63 135.71 53.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.975 0.417 . . . . 0.0 110.17 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 37.8 ttmt -113.92 117.13 30.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.264 0.554 . . . . 0.0 111.183 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 21' ' ' LEU . 2.7 mp -111.7 65.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.953 0.882 . . . . 0.0 109.485 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 54.1 m -93.39 84.89 4.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.818 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 88' ' ' SER . 48.0 t -80.38 98.11 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.869 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.671 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 30.5 m170 -105.67 103.6 13.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.204 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.713 ' O ' ' HA ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -103.68 100.74 11.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.136 0.493 . . . . 0.0 110.078 179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -96.4 60.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.376 0.608 . . . . 0.0 110.676 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mp -91.1 -68.79 0.77 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 91' ' ' SER . . . 100.27 116.2 3.9 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 p30 45.26 45.55 9.72 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.723 0.773 . . . . 0.0 111.169 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -17.7 64.35 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.9 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 66.67 14.4 9.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.833 179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.8 tp -78.21 149.03 33.75 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.5 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 10.8 m-85 -66.51 107.48 2.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.477 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -60.22 -41.29 92.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.58 -23.79 66.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.137 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 1.2 tt0 -64.49 -39.06 93.08 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.042 0.449 . . . . 0.0 109.794 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 2.2 mm-40 -71.53 -39.33 70.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.289 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HA ' HG22 ' A' ' 75' ' ' THR . 5.1 mm-40 -64.13 -48.38 76.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.524 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 2.4 pp0? -61.9 -29.9 70.51 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 3.2 pp -84.19 -33.6 24.14 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.68 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 72' ' ' GLU . 5.2 t -79.64 -14.25 58.93 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.594 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.15 -35.81 76.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.99 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.0 mm? -62.89 -30.71 71.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.063 0.458 . . . . 0.0 110.603 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 6.1 mm -100.52 -7.41 9.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.431 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.04 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.32 -5.14 45.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -154.88 39.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.135 0.493 . . . . 0.0 110.546 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -79.22 65.91 4.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.272 0.558 . . . . 0.0 110.391 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.43 19.59 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.059 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.02 179.03 4.62 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.716 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 73.6 m-85 -88.82 68.11 8.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.463 0.649 . . . . 0.0 109.669 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 55' ' ' ILE . 4.0 p -97.05 139.1 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.252 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -161.72 109.79 1.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.386 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.641 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 22.3 t -115.05 146.86 40.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.176 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 tt -168.02 141.72 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-O 120.644 0.259 . . . . 0.0 110.859 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 15.8 t0 -124.35 168.86 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.412 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -80.64 71.61 7.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.466 0.651 . . . . 0.0 110.058 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.98 106.6 8.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.169 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -100.95 1.29 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.839 0.828 . . . . 0.0 109.492 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 34.8 mm -98.9 126.92 51.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -79.82 76.05 6.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.071 0.463 . . . . 0.0 111.0 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -87.01 131.64 34.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.625 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -72.27 152.48 42.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.101 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -80.14 128.52 33.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.34 90.77 3.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.074 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -84.29 138.44 32.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -84.74 75.58 10.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.403 0.621 . . . . 0.0 110.987 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.2 tt -119.42 109.15 25.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.324 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 143.28 49.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.339 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -88.39 6.23 38.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.629 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.937 179.691 . . . . . . . . 0 0 . 1 stop_ save_