data_1aaf_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 1aaf _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.237 0.404 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -20.96 62.59 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.596 -177.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -100.7 -56.42 2.34 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.045 -160.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.83 -27.68 19.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.816 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.99 -29.71 10.72 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -69.07 154.23 42.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.879 -0.661 . . . . 0.0 110.426 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.63 149.33 23.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.423 -171.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.96 -30.35 3.08 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 170.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -128.91 162.18 28.14 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.907 -0.647 . . . . 0.0 110.473 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.4 pt -95.83 166.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.463 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.25 39.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.212 -162.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -59.92 -29.87 68.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.824 171.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.07 39.12 2.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.46 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.2 t . . . . . 0 C--O 1.234 0.268 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.824 -172.733 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.292 0.568 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -85.18 -27.58 26.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.043 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.4 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.334 -169.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.8 p -109.6 -48.66 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.712 167.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 -23.17 2.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.17 169.14 12.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.337 -170.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -125.88 35.49 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.435 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.14 -24.12 35.6 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -151.78 -178.92 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.342 -168.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -130.31 153.34 48.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.424 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.421 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -61.81 -32.81 73.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -171.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -15.03 32.47 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.667 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.72 -25.88 9.27 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.448 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.235 0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.206 -164.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -70.93 -20.23 62.49 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.772 -1.103 . . . . 0.0 111.39 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -93.07 -51.19 5.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.386 0.612 . . . . 0.0 109.918 -157.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.47 -33.7 15.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.543 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.08 -31.31 7.07 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -62.53 176.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.41 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.08 140.07 48.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.467 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 24.44 3.59 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -173.91 167.59 4.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.239 0.542 . . . . 0.0 110.283 166.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 pt -100.99 167.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.589 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.32 -25.59 27.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.202 -165.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.09 69.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.515 169.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -105.87 31.29 5.15 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.677 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t . . . . . 0 N--CA 1.466 0.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.984 -171.785 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.21 36.47 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.765 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB2' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -80.47 -36.57 33.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.373 -164.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -107.7 -47.69 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.672 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.52 -24.29 3.93 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.05 174.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.445 . . . . 0.0 110.382 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -124.92 25.05 7.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.456 -171.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.37 -50.27 0.77 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -113.02 171.39 7.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.416 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' HG2' ' HB2' ' A' ' 48' ' ' ASP . 3.2 pt20 -108.62 160.85 15.6 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.24 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.417 ' HG3' ' HB2' ' A' ' 38' ' ' LYS . 27.1 ttp -67.96 -33.41 74.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.44 -170.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -67.95 -24.02 65.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.456 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -82.92 -32.31 27.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.306 170.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.235 0.302 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.36 -162.156 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.21 -19.35 62.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.531 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -92.62 -50.86 5.39 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.912 -157.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.32 -35.97 14.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.558 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.86 25.72 24.16 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -101.91 177.07 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.399 171.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -111.93 138.13 48.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.443 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.97 24.75 3.82 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -173.9 174.4 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.225 0.535 . . . . 0.0 110.31 165.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.0 pt -111.28 167.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.655 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.61 30.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.136 -164.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -25.69 65.78 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.696 170.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -114.11 29.46 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.595 -172.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.856 -170.185 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.901 0.381 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -103.95 24.44 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.582 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -95.88 -64.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.002 165.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.47 -30.7 29.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.668 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.93 6.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 166.41 3.97 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.035 -0.582 . . . . 0.0 110.546 -176.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.51 76.91 1.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.436 -169.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.07 27.61 0.13 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 174.37 -174.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.277 -0.461 . . . . 0.0 110.222 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.39 155.54 24.01 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.447 178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 74.0 mtp -61.67 -47.09 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.515 -171.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -29.43 70.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.493 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.1 28.54 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.49 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.454 -0.226 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.439 174.165 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.13 -20.76 60.86 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.038 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -96.22 -52.05 4.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.43 0.634 . . . . 0.0 109.984 -158.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -90.91 -30.83 16.66 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.595 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.77 -36.02 4.64 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.08 166.5 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.032 0.444 . . . . 0.0 110.307 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.93 128.44 54.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 -170.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.97 24.23 2.55 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -165.48 164.57 19.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 110.207 161.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' A' ' 26' ' ' LYS . 16.8 pt -106.03 162.89 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.717 0.77 . . . . 0.0 111.002 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 -15.81 57.25 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.104 -159.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -78.44 -23.17 46.72 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.017 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -105.04 26.97 8.62 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.65 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.806 -179.603 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.763 0.316 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -29.32 52.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.871 177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.72 -42.8 90.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.468 -167.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -111.17 -36.93 5.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.686 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.87 4.73 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.49 151.44 50.97 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 114.718 -0.741 . . . . 0.0 110.174 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -112.94 77.62 1.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.841 0.829 . . . . 0.0 110.488 -166.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.62 31.61 0.1 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 178.31 112.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.173 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -65.21 159.77 22.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.37 -171.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mtp -61.73 -24.69 66.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.495 -169.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -18.98 62.48 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.621 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.73 -25.58 13.48 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.449 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.235 0.312 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.293 -164.285 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -74.54 -22.16 59.16 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.039 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 3.8 t30 -94.55 -50.92 4.98 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.925 -156.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -88.96 -23.16 22.73 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.621 169.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.35 -35.3 4.79 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 167.17 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.414 -168.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -106.33 141.45 37.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.349 -170.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.0 24.18 4.33 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -173.98 160.18 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.326 0.584 . . . . 0.0 110.391 167.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.9 pt -94.77 165.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.451 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -79.53 -25.82 41.64 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.232 -161.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.75 -28.8 67.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.781 169.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -107.57 30.52 6.2 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.451 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.896 -167.346 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.554 0.216 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -96.99 31.2 2.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.601 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -121.76 -62.7 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.922 176.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -86.64 -17.55 33.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.646 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.77 30.84 61.1 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 174.94 9.39 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.869 -0.665 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -110.53 155.0 22.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.405 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.94 23.06 7.96 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 179.77 159.59 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.325 0.583 . . . . 0.0 110.283 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.54 155.89 18.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.414 -173.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.403 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 4.3 tmm? -71.68 -37.05 70.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.372 -166.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -18.31 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.332 169.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.67 -31.34 16.65 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.414 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.233 0.231 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.332 -164.46 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.234 0.266 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -20.88 65.44 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.093 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -95.66 -54.7 3.27 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.46 0.647 . . . . 0.0 109.935 -157.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -89.73 -27.31 20.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.694 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -65.05 147.56 53.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.359 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.53 159.99 27.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.377 171.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.66 -51.79 0.8 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -118.83 -176.16 3.05 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.455 0.645 . . . . 0.0 110.429 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.2 pt -125.96 166.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.504 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.1 42.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.299 -163.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -22.69 63.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.722 171.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.13 30.34 7.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.711 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.467 0.38 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.878 -170.463 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 121.111 0.482 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -31.5 54.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.061 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -64.09 -63.44 1.15 Allowed 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.839 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.2 p -100.13 -37.94 8.74 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.569 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.64 8.8 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -70.03 173.83 6.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.405 -168.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.59 107.51 9.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.359 -169.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 166.42 -60.64 0.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -169.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -104.55 165.08 11.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.347 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.53 170.64 7.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.382 169.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.68 -35.17 77.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.457 -167.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -22.12 66.67 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.5 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.68 24.9 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.444 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.372 169.697 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.2 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.344 0.592 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.79 -22.01 62.41 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.946 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -92.27 -49.88 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.877 -156.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -89.99 -28.28 19.21 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 168.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.84 -31.96 8.09 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 164.41 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.397 -170.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 132.67 50.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.352 -171.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.37 25.04 2.77 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 167.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -171.09 176.03 4.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.302 164.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -112.2 166.98 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.57 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.25 -27.54 29.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.237 -164.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -27.96 67.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.613 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -108.08 29.17 7.55 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.637 -173.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.466 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.947 -168.235 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.72 0.295 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.59 31.2 2.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 5.8 tmtt? -115.59 -62.22 1.63 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.026 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 20.4 p -82.65 -33.53 27.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 114.546 -1.207 . . . . 0.0 110.648 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.42 -25.48 11.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 155.56 32.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.388 -170.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.32 25.19 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.396 -170.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.99 -57.37 0.77 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -170.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -112.65 177.47 4.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.311 0.577 . . . . 0.0 110.443 -169.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.44 164.51 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.484 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mtp -63.68 -42.27 98.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.429 -173.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -63.0 -28.63 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.586 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.56 28.03 8.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.416 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.48 175.028 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 121.536 0.684 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.08 -22.36 64.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.782 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 7.7 t30 -93.18 -49.95 5.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 -157.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -95.58 -27.16 15.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.74 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.8 -31.05 8.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -69.03 166.23 18.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.231 -0.484 . . . . 0.0 110.31 -171.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -108.03 138.98 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.388 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.54 24.7 3.66 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 169.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -170.24 163.69 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.264 0.555 . . . . 0.0 110.193 164.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -98.08 165.46 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.599 176.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . . . -85.23 -23.95 28.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.253 -163.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -30.3 70.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 168.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.75 32.18 3.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.895 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.466 0.347 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.025 -175.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.699 0.285 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -102.62 29.18 5.46 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.483 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 2.2 tttt -110.72 -48.76 3.1 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.504 173.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.91 -37.95 8.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.597 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.34 -24.96 7.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 170.54 2.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.288 -0.456 . . . . 0.0 110.407 -169.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.03 126.58 51.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.377 168.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.12 -36.52 0.49 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.7 p-80 -145.59 171.1 15.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.389 -0.406 . . . . 0.0 110.373 -168.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -99.36 165.97 11.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.342 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.428 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 7.2 mtm -62.2 -48.63 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -61.24 -16.31 43.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.758 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.83 30.14 5.76 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.364 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 21.4 t . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.004 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -71.09 -15.12 62.51 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.036 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.39 -50.25 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.227 0.537 . . . . 0.0 109.896 -158.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.53 -26.77 20.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.626 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.88 -28.28 9.52 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -64.61 153.28 39.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.374 -172.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -96.64 139.14 33.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.361 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.2 -62.8 0.52 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 169.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -94.32 179.28 5.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -115.31 168.28 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.639 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.58 -25.85 26.46 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.083 -166.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -22.4 61.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.958 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.91 30.78 6.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.515 -170.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.466 0.336 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.795 -171.291 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.512 0.672 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.424 ' HA ' ' HA2' ' A' ' 40' ' ' GLY . 19.3 t-105 -82.61 -9.23 59.48 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.226 176.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -61.22 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.815 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -79.9 -31.79 40.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.521 168.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 37' ' ' TRP . . . 101.01 26.15 8.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 172.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.84 174.64 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.335 -168.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.39 -174.89 2.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.329 167.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.62 -24.74 30.91 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -150.09 178.8 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.379 -0.41 . . . . 0.0 110.388 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 46' ' ' MET . 10.7 tp-100 -113.85 171.52 7.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.313 170.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.464 ' N ' ' HG3' ' A' ' 45' ' ' GLN . 19.9 ptt? -62.01 -31.64 72.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.419 178.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -45.54 93.19 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.509 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.08 -26.14 62.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.469 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.49 -167.598 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t . . . . . 0 C--O 1.233 0.214 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -69.65 -21.32 63.55 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.39 -50.16 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.889 -156.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 p -92.77 -39.38 11.27 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.497 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.05 3.8 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.558 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -120.33 148.05 44.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 114.949 -0.625 . . . . 0.0 110.367 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.37 128.47 47.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.555 170.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.5 -45.57 0.65 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -126.21 170.18 12.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.402 0.62 . . . . 0.0 110.389 174.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.414 HG12 ' HB2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -106.96 167.66 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.775 178.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.85 -21.33 25.08 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.303 -165.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.49 -34.33 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.539 166.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' HB2' HG12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -81.48 -19.1 43.04 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.285 176.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.881 -159.297 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.878 0.371 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.72 -29.23 69.23 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.151 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -79.77 -68.17 0.69 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.049 -171.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.67 -20.5 18.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.643 -165.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.05 -30.12 10.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 160.34 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 114.948 -0.626 . . . . 0.0 110.474 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.21 142.79 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.387 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.19 23.97 4.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -168.72 179.25 4.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.352 -0.424 . . . . 0.0 110.185 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.05 -179.74 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.418 167.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.22 -41.19 98.17 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.724 -171.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -18.13 63.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.367 -171.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -122.52 30.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.518 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.472 179.758 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -69.29 -18.86 63.89 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -93.68 -53.01 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.551 0.691 . . . . 0.0 109.94 -158.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -90.09 -39.59 12.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.445 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.72 -48.53 0.97 Allowed Glycine 0 CA--C 1.526 0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.546 -173.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 161.08 9.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.157 -0.521 . . . . 0.0 110.449 -168.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.74 49.6 1.61 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.397 -167.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.46 -23.91 6.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 174.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -150.15 171.06 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 -166.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.19 167.47 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.776 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.93 -21.29 23.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.324 -164.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -67.73 -28.4 67.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.544 167.665 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -78.89 -18.84 53.23 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.302 173.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.467 0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.91 -158.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.93 -30.47 70.23 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.884 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -84.19 -69.97 0.6 Allowed 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.089 -169.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -89.87 -30.35 17.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.773 -167.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.49 30.48 9.1 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.552 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.32 169.07 16.92 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.855 -0.672 . . . . 0.0 110.526 175.457 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.76 45.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.306 -166.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.65 73.78 0.03 OUTLIER Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 165.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 3.4 p-80 -163.35 -179.45 6.57 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 122.575 -0.367 . . . . 0.0 110.112 160.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -165.56 1.32 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.302 165.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.6 ttp -62.48 -36.59 82.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -64.38 -29.58 70.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.444 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -119.83 25.35 10.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.474 -176.344 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 3.9 t . . . . . 0 C--O 1.235 0.291 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.181 169.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--O 1.238 0.497 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 41' ' ' LYS . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--O 1.238 0.497 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 41' ' ' LYS . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.67 -21.86 66.59 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.677 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 11.8 t30 -93.89 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.791 -160.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.45 -22.7 18.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.953 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.53 -21.39 39.16 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' CD ' ' HG2' ' A' ' 42' ' ' GLU . 10.0 mmtt -77.29 128.06 33.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.268 0.556 . . . . 0.0 110.381 -163.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HG3' ' CD ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -87.8 106.71 18.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.307 -171.199 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.51 -79.14 0.09 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -168.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -93.37 171.52 8.86 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 17.9 pt -100.57 161.23 3.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.393 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -58.98 -16.01 15.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.036 172.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.66 -50.18 70.29 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.583 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -97.64 30.63 2.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.521 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.752 -172.227 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.233 0.207 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.77 34.74 1.99 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.381 173.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -109.68 -36.21 6.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.521 169.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -116.23 -41.33 3.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.594 -176.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.27 -24.43 3.24 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.574 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' CD ' ' HG3' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -71.5 -178.77 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.142 0.496 . . . . 0.0 110.53 -170.077 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HG2' ' CD ' ' A' ' 20' ' ' LYS . 10.7 mp0 -138.73 20.1 2.68 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.401 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.64 -24.24 21.44 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.509 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 48' ' ' ASP . 9.6 p-80 -147.08 -179.62 6.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.42 -0.39 . . . . 0.0 110.221 -168.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -168.29 1.41 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 114.309 -1.314 . . . . 0.0 110.084 169.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.425 ' HE3' ' HB2' ' A' ' 46' ' ' MET . 2.1 ppp? -60.64 -24.73 65.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.301 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -51.71 66.79 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.461 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 38.7 t70 -98.8 30.9 3.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.439 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.232 0.179 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.137 176.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.236 0.345 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -62.89 -22.96 67.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.485 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.9 -58.37 1.89 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.151 -157.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -87.91 -30.67 19.93 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.663 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.18 -33.97 5.81 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.522 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.7 151.3 34.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.094 0.473 . . . . 0.0 110.388 -167.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.85 127.61 42.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.504 171.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.13 -43.85 0.49 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -129.04 164.39 23.35 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.476 0.655 . . . . 0.0 110.481 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.51 164.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.471 173.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.09 -16.94 51.72 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.491 -161.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -23.52 62.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.918 171.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.34 29.96 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.435 -169.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.753 -169.628 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.518 0.675 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -81.2 -24.97 37.1 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.828 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.67 -47.48 13.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.506 -166.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -95.78 -25.93 15.87 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.585 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.51 -24.2 30.67 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -77.55 142.66 38.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.359 -0.421 . . . . 0.0 110.393 -169.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -99.73 98.62 9.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.422 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -172.7 -65.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -170.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -109.68 170.71 7.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.371 0.605 . . . . 0.0 110.435 -171.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -114.23 160.9 18.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.405 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.85 -30.41 70.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.354 -171.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -17.63 55.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.505 175.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -107.62 -30.16 8.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.459 174.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.454 -0.226 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.422 -174.389 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -71.34 -19.4 62.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.555 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -92.12 -51.27 5.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.479 0.656 . . . . 0.0 109.943 -157.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -31.36 16.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.725 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.61 -23.81 16.78 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 159.59 12.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 -168.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.51 95.86 5.47 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.513 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.96 -63.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -171.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -108.82 -177.27 3.27 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.877 -0.661 . . . . 0.0 110.341 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.8 pt -115.6 169.68 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.655 -175.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.87 -21.21 25.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.065 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -22.76 62.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 170.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -123.78 29.61 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.549 -169.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.234 0.283 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.798 -168.66 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.879 0.371 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -95.17 19.69 10.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.231 -176.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 -70.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.066 166.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.9 p -73.73 -42.4 61.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.504 -175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.49 30.98 3.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -122.83 172.69 8.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.01 96.19 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.408 -169.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.48 49.52 0.03 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 166.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 179.37 -179.9 0.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.151 167.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.16 176.7 7.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.419 169.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.64 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.503 -168.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -20.03 63.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.45 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.94 -25.87 13.63 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.499 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.422 -168.002 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.238 0.493 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -26.76 68.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.025 -1.443 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -99.1 -58.47 1.93 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.867 -159.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -90.54 -27.56 19.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.992 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.78 -29.9 10.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.1 158.92 15.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.875 -0.663 . . . . 0.0 110.364 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -90.78 144.28 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.275 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.38 25.16 6.78 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 160.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -166.56 155.34 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.51 . . . . 0.0 110.341 159.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.1 pt -93.05 166.52 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.128 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.45 -23.3 46.63 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.082 -162.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -59.7 -29.26 67.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.654 168.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -112.95 34.2 4.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.495 -172.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.755 -170.27 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.234 0.287 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -63.37 -30.28 71.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.943 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -81.22 -68.8 0.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.065 -171.214 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.62 -25.83 17.34 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.793 -168.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.94 24.13 58.38 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 174.89 6.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.222 167.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -118.2 100.68 7.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.331 -169.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.62 49.27 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 165.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -178.83 -176.72 0.47 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.404 -0.398 . . . . 0.0 110.164 164.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -128.79 170.99 12.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.425 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.72 -35.04 76.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.445 -170.324 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.76 -16.74 52.11 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.614 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.9 35.04 1.25 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.4 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.356 165.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 C--O 1.237 0.422 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -21.63 62.08 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.276 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -91.72 -49.81 6.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.303 0.573 . . . . 0.0 109.92 -156.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.32 -37.9 9.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.833 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.51 -32.09 4.61 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.546 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -61.11 175.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.245 -0.478 . . . . 0.0 110.534 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -115.52 -24.29 8.4 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.433 -165.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.3 -22.92 61.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -166.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -144.42 177.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.112 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.42 HG12 ' HB2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -119.75 165.57 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.855 -172.301 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.96 -27.85 26.22 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.077 -163.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -23.32 63.28 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.869 171.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.42 ' HB2' HG12 ' A' ' 24' ' ' ILE . 1.1 m120 -99.38 -19.47 16.98 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.365 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.095 -158.119 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.237 0.407 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -90.58 25.89 2.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.756 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 -57.85 2.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.071 175.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.1 p -97.2 -41.67 8.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.559 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.98 28.4 4.19 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.549 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 175.81 6.8 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.339 170.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.32 -24.83 12.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.646 -165.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -59.7 0.85 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -161.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -85.54 -179.97 7.01 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 122.495 -0.415 . . . . 0.0 110.395 -161.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -119.43 -177.13 3.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.49 168.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -28.23 68.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.245 -172.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -62.04 -23.61 66.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.476 -171.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.01 22.89 6.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.188 -172.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.452 -170.46 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.53 -20.13 61.4 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.379 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.46 -51.55 4.72 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.357 0.599 . . . . 0.0 109.917 -156.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -87.96 -24.59 23.52 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.572 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.67 -33.16 6.79 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 171.62 11.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.52 -168.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -119.65 141.65 49.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.433 -171.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.26 22.6 4.8 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.712 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -178.78 164.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 110.027 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 pt -102.11 166.89 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.716 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.2 -15.01 52.17 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 -165.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -31.74 71.53 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.489 174.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -111.49 26.69 10.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.57 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.752 -171.1 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.957 0.408 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -25.28 68.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.703 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -65.78 0.94 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.076 -170.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.1 p -93.01 -18.7 22.37 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.735 -165.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.32 24.2 66.39 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -100.25 174.46 6.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.237 168.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -120.03 105.39 10.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 -167.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.89 52.81 0.26 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 164.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -177.77 176.31 1.23 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.096 162.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.467 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -120.58 179.04 4.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 114.218 -1.355 . . . . 0.0 110.393 171.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.58 -27.18 69.01 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.507 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -61.88 -16.56 51.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.468 -170.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.55 30.8 1.7 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.549 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.454 -0.23 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.313 172.262 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.01 -23.11 65.88 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.331 -177.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -100.31 -55.79 2.52 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.433 0.635 . . . . 0.0 110.058 -158.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -90.56 -30.31 17.32 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.648 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.43 -25.58 27.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 153.45 28.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.352 170.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -79.29 -159.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.338 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.17 5.49 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 169.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -153.39 165.57 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 110.416 -168.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -98.95 165.91 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.611 177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.6 -26.95 29.56 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.226 -163.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.374 167.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -102.15 32.47 3.48 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.952 -176.695 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t . . . . . 0 C--O 1.235 0.313 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -30.06 68.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.123 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -70.05 0.45 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.929 -172.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.61 -14.88 34.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.834 -169.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 23.78 72.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.87 162.3 13.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.428 -0.386 . . . . 0.0 110.351 168.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -110.29 94.91 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.436 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.84 50.24 0.04 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 166.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 48' ' ' ASP . 2.3 p-80 -178.4 171.1 1.64 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 122.601 -0.352 . . . . 0.0 110.107 161.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.01 -175.08 2.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 113.403 -1.726 . . . . 0.0 110.136 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 tpt -61.19 -36.2 79.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.484 171.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -78.52 -25.68 45.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.582 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.416 ' CB ' ' HB2' ' A' ' 44' ' ' HIS . 16.2 m-20 -103.16 26.5 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.39 171.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.234 0.274 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.089 170.672 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtp . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 59.72 -178.01 0.09 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.249 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.24 133.51 1.41 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.389 -170.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.69 169.6 16.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -169.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.47 24.62 14.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.361 -0.42 . . . . 0.0 110.364 -169.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.7 p90 178.34 151.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.318 169.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -177.42 -33.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.385 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -62.0 87.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.333 -170.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.72 -78.86 0.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.379 -168.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 62.16 -83.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.802 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.58 93.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.326 -168.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.17 40.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.489 -165.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 pp -86.63 58.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.324 -170.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.67 104.23 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.29 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.6 t -66.02 135.59 54.87 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.963 -174.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -20.96 62.59 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.596 -177.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -100.7 -56.42 2.34 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.045 -160.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.83 -27.68 19.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.816 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.99 -29.71 10.72 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -69.07 154.23 42.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.879 -0.661 . . . . 0.0 110.426 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.63 149.33 23.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.423 -171.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.96 -30.35 3.08 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 170.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -128.91 162.18 28.14 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.907 -0.647 . . . . 0.0 110.473 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.4 pt -95.83 166.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.463 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.25 39.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.212 -162.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -59.92 -29.87 68.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.824 171.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.07 39.12 2.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.46 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.2 t -101.07 95.14 6.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.824 -172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 67.87 2.35 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.467 153.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.82 141.81 88.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.078 -172.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -63.54 130.32 27.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 N-CA-C 109.914 -0.841 . . . . 0.0 109.914 -157.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 111.84 23.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.08 160.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 82.59 8.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.475 -162.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -151.26 119.63 6.4 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.207 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.23 -105.56 0.01 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.7 t -93.66 115.78 28.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.292 0.568 . . . . 0.0 110.353 167.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -85.18 -27.58 26.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.043 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.4 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.334 -169.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.8 p -109.6 -48.66 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.712 167.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 -23.17 2.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.17 169.14 12.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.337 -170.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -125.88 35.49 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.435 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.14 -24.12 35.6 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -151.78 -178.92 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.342 -168.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -130.31 153.34 48.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.424 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.421 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -61.81 -32.81 73.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -171.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -15.03 32.47 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.667 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.72 -25.88 9.27 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.448 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t -68.65 106.95 2.79 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.206 -164.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.14 28.48 6.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.83 158.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.72 -84.31 0.02 OUTLIER 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.834 -161.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -175.67 144.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.22 165.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -154.95 24.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.455 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.47 -162.61 0.27 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.365 167.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 C--O 1.24 0.557 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.314 168.833 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ttp . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.253 0.549 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.96 128.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.378 -170.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HB3' ' NH1' ' A' ' 3' ' ' ARG . 5.5 mmm180 61.79 100.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.38 169.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.86 122.36 2.58 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 170.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 68.68 74.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.383 -0.409 . . . . 0.0 110.384 170.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.7 p90 179.51 179.96 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.356 169.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 61.69 179.58 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.432 169.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 69.33 84.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.342 -169.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -145.64 -43.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.364 -168.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 64.8 -66.86 0.13 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.473 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.2 102.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.447 169.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 tt -164.92 -50.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.37 167.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.415 ' CG1' ' HA ' ' A' ' 23' ' ' HIS . 2.3 tp 58.22 60.86 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.783 166.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 141.16 36.42 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.5 169.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 t -104.17 123.7 47.77 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.781 -167.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -70.93 -20.23 62.49 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.772 -1.103 . . . . 0.0 111.39 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -93.07 -51.19 5.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.386 0.612 . . . . 0.0 109.918 -157.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.47 -33.7 15.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.543 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.08 -31.31 7.07 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -62.53 176.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.41 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.08 140.07 48.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.467 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 24.44 3.59 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.415 ' HA ' ' CG1' ' A' ' 13' ' ' ILE . 56.9 p-80 -173.91 167.59 4.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.239 0.542 . . . . 0.0 110.283 166.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 pt -100.99 167.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.589 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.32 -25.59 27.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.202 -165.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.09 69.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.515 169.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -105.87 31.29 5.15 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.677 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t -109.48 118.66 37.22 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.984 -171.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.29 33.0 1.63 Allowed 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.798 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.55 148.02 39.27 Favored Pre-proline 0 N--CA 1.469 0.49 0 CA-C-N 114.32 -1.309 . . . . 0.0 109.996 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.91 -120.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.433 0 N-CA-C 109.358 -1.055 . . . . 0.0 109.358 153.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.56 98.73 0.07 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.305 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 129.58 41.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.426 -166.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -138.66 -79.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.402 169.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.3 178.45 22.59 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.0 t -90.87 125.36 35.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.275 -169.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.21 36.47 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.765 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB2' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -80.47 -36.57 33.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.373 -164.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -107.7 -47.69 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.672 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.52 -24.29 3.93 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.05 174.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.445 . . . . 0.0 110.382 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -124.92 25.05 7.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.456 -171.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.37 -50.27 0.77 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -113.02 171.39 7.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.416 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' HG2' ' HB2' ' A' ' 48' ' ' ASP . 3.2 pt20 -108.62 160.85 15.6 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.24 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.417 ' HG3' ' HB2' ' A' ' 38' ' ' LYS . 27.1 ttp -67.96 -33.41 74.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.44 -170.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -67.95 -24.02 65.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.456 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -82.92 -32.31 27.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.306 170.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 t -72.67 112.11 8.43 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.36 -162.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.55 38.73 3.07 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.777 158.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.66 -84.74 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.077 -162.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -167.38 152.86 7.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.31 163.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -86.44 -71.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.334 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.56 39.17 14.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.352 168.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--O 1.239 0.552 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.317 169.434 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 mmt . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.184 0.516 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 61.91 178.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.344 -171.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -113.83 100.47 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.389 -169.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 24.43 36.43 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 170.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.02 109.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.361 169.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -76.87 118.95 19.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.384 -169.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -150.87 174.02 13.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.383 169.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -133.11 145.77 51.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.343 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -170.59 141.22 1.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.424 169.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.9 174.3 6.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.318 -169.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.25 109.9 5.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.373 -169.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -157.21 101.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.427 -170.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 pt -59.73 93.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.026 -176.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.39 115.23 0.92 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.19 169.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.3 t -98.38 122.56 41.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.765 -162.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.21 -19.35 62.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.531 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -92.62 -50.86 5.39 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.912 -157.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.32 -35.97 14.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.558 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.86 25.72 24.16 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -101.91 177.07 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.399 171.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -111.93 138.13 48.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.443 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.97 24.75 3.82 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -173.9 174.4 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.225 0.535 . . . . 0.0 110.31 165.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.0 pt -111.28 167.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.655 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.61 30.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.136 -164.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -25.69 65.78 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.696 170.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -114.11 29.46 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.595 -172.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t -103.89 115.66 30.86 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.856 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -103.92 36.48 2.32 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.303 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.67 148.99 65.07 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.77 166.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.21 154.73 19.13 Favored 'Trans proline' 0 C--N 1.348 0.53 0 N-CA-C 109.376 -1.048 . . . . 0.0 109.376 153.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.22 144.3 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.578 165.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.28 -76.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.388 164.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.84 -176.01 0.31 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.169 171.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.07 -149.0 21.16 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 163.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t -117.98 121.56 40.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.263 -0.468 . . . . 0.0 110.318 -167.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -103.95 24.44 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.582 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -95.88 -64.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.002 165.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.47 -30.7 29.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.668 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.93 6.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 166.41 3.97 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.035 -0.582 . . . . 0.0 110.546 -176.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.51 76.91 1.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.436 -169.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.07 27.61 0.13 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 51' ' ' GLU . 38.3 p-80 174.37 -174.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.277 -0.461 . . . . 0.0 110.222 172.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.39 155.54 24.01 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.447 178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 74.0 mtp -61.67 -47.09 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.515 -171.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -29.43 70.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.493 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.1 28.54 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.49 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.7 t -82.47 126.68 32.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.439 174.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.73 25.31 4.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.403 171.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' ' CE1' ' A' ' 44' ' ' HIS . 25.4 mm-40 -73.22 -25.41 60.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.392 -168.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.45 -167.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.373 170.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.17 -84.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.391 169.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.51 -168.8 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.373 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--O 1.24 0.587 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.276 169.631 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 121.186 0.517 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -117.1 28.27 8.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.39 -171.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -128.41 133.71 48.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.348 169.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.0 112.85 0.32 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -169.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 66.71 84.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.316 169.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.15 156.8 44.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.346 -169.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -78.91 138.64 38.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.379 169.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -81.13 176.46 9.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.327 -169.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.67 -84.51 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.414 -169.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.71 138.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.397 -169.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? 63.78 151.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.379 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -133.73 166.18 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.377 -170.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG21 HG21 ' A' ' 24' ' ' ILE . 21.1 tt -117.47 170.14 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.32 -167.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -111.12 156.07 21.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.54 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.5 t -96.99 130.76 44.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.603 -169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.13 -20.76 60.86 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.038 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -96.22 -52.05 4.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.43 0.634 . . . . 0.0 109.984 -158.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -90.91 -30.83 16.66 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.595 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.77 -36.02 4.64 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.08 166.5 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.032 0.444 . . . . 0.0 110.307 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.93 128.44 54.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 -170.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.97 24.23 2.55 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -165.48 164.57 19.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 110.207 161.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.433 HG21 HG21 ' A' ' 13' ' ' ILE . 16.8 pt -106.03 162.89 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.717 0.77 . . . . 0.0 111.002 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 -15.81 57.25 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.104 -159.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -78.44 -23.17 46.72 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.017 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -105.04 26.97 8.62 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.65 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t -105.91 125.2 50.71 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.806 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -127.14 42.69 3.27 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.035 165.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.72 148.72 66.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.944 172.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.79 -143.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 109.507 -0.997 . . . . 0.0 109.507 154.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.58 81.29 0.21 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.155 -164.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -179.48 142.24 0.17 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.254 -165.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 178.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.407 168.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.82 -145.42 9.11 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -168.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t -112.52 120.19 40.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.331 -0.434 . . . . 0.0 110.412 171.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -29.32 52.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.871 177.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.72 -42.8 90.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.468 -167.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -111.17 -36.93 5.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.686 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.87 4.73 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.49 151.44 50.97 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 114.718 -0.741 . . . . 0.0 110.174 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -112.94 77.62 1.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.841 0.829 . . . . 0.0 110.488 -166.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.62 31.61 0.1 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 178.31 112.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.173 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -65.21 159.77 22.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.37 -171.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mtp -61.73 -24.69 66.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.495 -169.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -18.98 62.48 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.621 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.73 -25.58 13.48 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.449 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -83.29 123.26 29.44 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.293 -164.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.9 22.17 2.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.064 160.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.97 -157.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.457 -164.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 64.12 84.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.468 -171.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 2.5 mm-40 -165.18 69.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.399 -170.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -130.69 25.43 5.05 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.37 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.543 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.323 169.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.27 0.557 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -99.77 38.47 1.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.406 -171.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HG2' ' NH1' ' A' ' 3' ' ' ARG . 0.0 OUTLIER 63.94 99.69 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.436 -179.361 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.24 -69.6 0.48 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 171.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -92.01 -174.38 3.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.351 -0.424 . . . . 0.0 110.364 -170.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.483 ' CZ ' ' NH1' ' A' ' 7' ' ' ARG . 39.6 p90 -102.62 -24.98 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.467 170.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.483 ' NH1' ' CZ ' ' A' ' 6' ' ' PHE . 10.1 ptp85 -113.17 174.39 5.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.394 170.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -159.7 170.51 21.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.352 -169.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.94 166.54 3.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.395 -169.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 171.28 13.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.436 -169.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -119.11 24.95 10.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.383 -170.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.5 tt -128.73 123.67 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.163 166.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -108.84 108.58 25.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.314 -164.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.1 155.63 44.03 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.123 163.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t -103.8 129.92 51.29 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.843 -159.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -74.54 -22.16 59.16 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.039 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 3.8 t30 -94.55 -50.92 4.98 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.925 -156.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 33' ' ' LYS . 25.0 p -88.96 -23.16 22.73 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.621 169.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.35 -35.3 4.79 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -175.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 167.17 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.414 -168.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -106.33 141.45 37.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.349 -170.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.0 24.18 4.33 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -173.98 160.18 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.326 0.584 . . . . 0.0 110.391 167.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.9 pt -94.77 165.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.451 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -79.53 -25.82 41.64 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.232 -161.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.75 -28.8 67.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.781 169.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -107.57 30.52 6.2 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.451 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 t -92.51 115.46 28.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.896 -167.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -103.26 40.42 1.41 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.3 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.68 149.46 52.1 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.951 164.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -79.4 81.17 2.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 N-CA-C 109.393 -1.041 . . . . 0.0 109.393 154.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 60.96 -174.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.416 162.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' CYS . 3.6 tptp -175.5 -168.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.18 -168.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 85.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.475 -169.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.8 -130.57 3.15 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -131.65 125.52 32.36 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.806 -0.697 . . . . 0.0 110.507 176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -96.99 31.2 2.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.601 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -121.76 -62.7 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.922 176.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -86.64 -17.55 33.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.646 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.77 30.84 61.1 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' HD2' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -130.45 174.94 9.39 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.869 -0.665 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -110.53 155.0 22.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.405 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.94 23.06 7.96 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 179.77 159.59 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.325 0.583 . . . . 0.0 110.283 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.54 155.89 18.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.414 -173.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.403 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 4.3 tmm? -71.68 -37.05 70.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.372 -166.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -18.31 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.332 169.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.67 -31.34 16.65 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.414 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 t -70.56 133.02 46.36 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.332 -164.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.9 32.83 0.44 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.404 165.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -140.43 91.52 2.44 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.512 -165.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.91 -165.73 0.21 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.551 161.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.78 44.19 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.348 168.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HB3' ' HD2' ' A' ' 41' ' ' LYS . . . 61.59 163.67 0.08 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.333 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.241 0.642 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.297 -167.792 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 121.264 0.554 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.04 36.44 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.392 171.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -117.28 -67.7 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.395 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.33 -114.45 0.59 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -169.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 m120 66.25 143.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.398 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -95.11 -72.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.361 -169.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -149.55 174.32 12.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.367 169.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.63 -54.69 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.348 169.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.65 99.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.423 -169.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -168.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.322 168.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.7 146.89 47.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.377 -168.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.57 130.99 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.446 -167.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG12 ' CG2' ' A' ' 24' ' ' ILE . 0.6 OUTLIER -171.23 111.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.347 -170.39 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.01 109.8 16.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.402 -168.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 t -63.1 124.97 22.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.948 168.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -20.88 65.44 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.093 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -95.66 -54.7 3.27 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.46 0.647 . . . . 0.0 109.935 -157.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -89.73 -27.31 20.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.694 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -65.05 147.56 53.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.359 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.53 159.99 27.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.377 171.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.66 -51.79 0.8 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -118.83 -176.16 3.05 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.455 0.645 . . . . 0.0 110.429 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.412 ' CG2' HG12 ' A' ' 13' ' ' ILE . 49.2 pt -125.96 166.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.504 -178.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.1 42.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.299 -163.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -22.69 63.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.722 171.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.13 30.34 7.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.711 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t -107.64 123.13 48.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.878 -170.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 3.4 ttm105 -121.55 41.31 3.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.139 166.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.09 149.08 68.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.799 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -80.56 -151.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 109.379 -1.046 . . . . 0.0 109.379 152.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -106.58 81.41 1.58 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.366 169.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 29.88 3.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.333 -169.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.26 79.92 1.66 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.368 168.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -152.78 179.96 28.82 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -170.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 t -109.04 131.18 55.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.111 0.482 . . . . 0.0 110.442 170.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -31.5 54.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.061 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -64.09 -63.44 1.15 Allowed 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.839 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.2 p -100.13 -37.94 8.74 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.569 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.64 8.8 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -70.03 173.83 6.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.405 -168.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.59 107.51 9.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.359 -169.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 166.42 -60.64 0.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -169.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -104.55 165.08 11.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.347 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.53 170.64 7.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.382 169.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.68 -35.17 77.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.457 -167.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -22.12 66.67 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.5 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.68 24.9 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.444 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.1 t -74.34 128.77 36.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.372 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 m -124.36 25.69 7.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.497 171.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.65 26.36 10.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.395 -171.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -80.92 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.346 169.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.47 153.91 32.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.372 -168.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.99 -53.01 1.86 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.252 -169.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 . . . . . 0 C--O 1.24 0.581 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.354 169.3 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 121.213 0.53 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 61.83 73.81 0.46 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.475 -171.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 62.37 32.05 17.04 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.373 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.46 119.13 4.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -163.38 1.04 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.36 -170.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -79.7 175.72 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.365 169.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -29.43 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.37 -169.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -135.73 -81.5 0.41 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.312 -170.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 59.94 -172.47 0.12 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.249 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 64.87 125.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.317 -168.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HB3' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -136.22 -174.07 3.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.415 -166.253 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.42 ' CG2' HG23 ' A' ' 24' ' ' ILE . 3.5 mp 60.44 31.77 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.098 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' HG2' ' A' ' 14' ' ' LYS . 24.1 pt -107.92 169.47 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.35 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HG2' HG13 ' A' ' 13' ' ' ILE . 6.7 ptpt 54.42 99.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.63 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.2 t -62.31 123.65 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.087 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.79 -22.01 62.41 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.946 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -92.27 -49.88 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.877 -156.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -89.99 -28.28 19.21 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 168.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.84 -31.96 8.09 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 164.41 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.397 -170.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 132.67 50.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.352 -171.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.37 25.04 2.77 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 167.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -171.09 176.03 4.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.302 164.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.42 HG23 ' CG2' ' A' ' 12' ' ' ILE . 1.3 pt -112.2 166.98 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.57 -174.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.25 -27.54 29.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.237 -164.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -27.96 67.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.613 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -108.08 29.17 7.55 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.637 -173.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 t -105.67 118.43 36.58 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.947 -168.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 33.53 1.71 Allowed 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.653 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.08 148.35 56.33 Favored Pre-proline 0 N--CA 1.469 0.484 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.113 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.08 155.54 22.82 Favored 'Trans proline' 0 C--N 1.348 0.552 0 N-CA-C 109.476 -1.009 . . . . 0.0 109.476 153.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.28 127.92 6.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.288 168.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -147.62 -174.44 4.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.387 -168.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -156.29 147.32 22.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.437 -168.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . -91.9 -168.56 40.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -171.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.8 t -130.22 118.88 22.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.333 -0.434 . . . . 0.0 110.415 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.59 31.2 2.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 5.8 tmtt? -115.59 -62.22 1.63 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.026 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 20.4 p -82.65 -33.53 27.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 114.546 -1.207 . . . . 0.0 110.648 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.42 -25.48 11.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 155.56 32.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.388 -170.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.32 25.19 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.396 -170.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.99 -57.37 0.77 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -170.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -112.65 177.47 4.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.311 0.577 . . . . 0.0 110.443 -169.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.44 164.51 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.484 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mtp -63.68 -42.27 98.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.429 -173.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -63.0 -28.63 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.586 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.56 28.03 8.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.416 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t -75.34 115.23 14.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.48 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.0 t -98.83 23.72 8.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.475 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -139.98 75.23 1.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.259 168.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.2 149.16 50.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.365 -167.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.54 98.69 2.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.352 -169.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.78 -72.22 0.38 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.236 -169.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--O 1.24 0.579 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.315 169.294 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 121.274 0.559 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.98 172.63 8.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.375 -171.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.44 28.07 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.533 -169.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.47 74.61 0.88 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.451 -1.059 . . . . 0.0 110.451 -175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.65 123.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.33 -169.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -147.53 -179.79 7.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.306 -168.883 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.422 ' HG3' ' HB3' ' A' ' 6' ' ' PHE . 36.8 mtt-85 64.73 89.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.52 169.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 62.17 -177.47 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.475 169.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -179.47 -78.54 0.01 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.238 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' HB2' HG13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER 65.87 152.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.514 166.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -96.44 -25.27 15.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.255 165.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 HG13 ' HB2' ' A' ' 10' ' ' ARG . 56.7 mt 64.65 71.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.515 166.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 pt -88.62 61.19 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.499 -172.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.94 124.57 47.39 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.32 175.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t -96.62 118.2 32.61 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.696 -166.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.08 -22.36 64.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.782 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 7.7 t30 -93.18 -49.95 5.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 -157.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -95.58 -27.16 15.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.74 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.8 -31.05 8.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -69.03 166.23 18.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.231 -0.484 . . . . 0.0 110.31 -171.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -108.03 138.98 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.388 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.54 24.7 3.66 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 169.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -170.24 163.69 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.264 0.555 . . . . 0.0 110.193 164.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -98.08 165.46 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.599 176.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . . . -85.23 -23.95 28.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.253 -163.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -30.3 70.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 168.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.75 32.18 3.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.895 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.3 t -114.87 125.12 53.3 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.025 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.58 39.73 3.68 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.182 167.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.71 146.4 66.25 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.329 167.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -64.63 -67.51 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.077 0 N-CA-C 109.834 -0.872 . . . . 0.0 109.834 -162.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 64.43 27.99 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.401 -164.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -163.08 119.81 1.86 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.319 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.85 -174.43 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.342 -167.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.39 -157.0 9.69 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 -168.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.2 t -140.18 123.46 16.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.398 -0.401 . . . . 0.0 110.266 -167.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -102.62 29.18 5.46 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.483 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 2.2 tttt -110.72 -48.76 3.1 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.504 173.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.91 -37.95 8.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.597 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.34 -24.96 7.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 170.54 2.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.288 -0.456 . . . . 0.0 110.407 -169.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.03 126.58 51.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.377 168.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.12 -36.52 0.49 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.7 p-80 -145.59 171.1 15.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.389 -0.406 . . . . 0.0 110.373 -168.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -99.36 165.97 11.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.342 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.428 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 7.2 mtm -62.2 -48.63 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -61.24 -16.31 43.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.758 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.83 30.14 5.76 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.364 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 21.4 t -69.69 111.99 5.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.004 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.2 t -60.95 -15.55 32.6 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.737 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER 60.9 -67.94 0.05 OUTLIER 'General case' 0 C--O 1.24 0.577 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.267 176.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 58.46 170.14 0.06 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.227 -176.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 178.92 -34.96 0.01 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.259 -166.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.82 -82.69 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.424 171.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.24 0.605 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.333 170.383 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpp? . . . . . 0 N--CA 1.473 0.725 0 CA-C-O 121.168 0.508 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -146.96 162.39 38.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.355 -170.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.07 122.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.347 169.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.26 -163.44 30.73 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 167.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -172.97 120.06 0.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.391 -170.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -179.35 -74.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.306 167.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 63.91 171.6 0.17 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.37 168.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -172.21 151.64 2.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.372 169.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -149.85 167.1 27.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.399 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -151.37 -170.29 3.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.412 -169.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.44 -171.59 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.353 -169.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 13' ' ' ILE . 1.8 tt -109.69 -150.07 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.862 -167.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 46.7 pt -86.95 175.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.357 0.598 . . . . 0.0 110.474 -163.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? 179.4 164.16 0.96 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.237 -170.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -62.78 116.24 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.957 167.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -71.09 -15.12 62.51 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.036 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.39 -50.25 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.227 0.537 . . . . 0.0 109.896 -158.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.53 -26.77 20.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.626 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.88 -28.28 9.52 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -64.61 153.28 39.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.374 -172.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -96.64 139.14 33.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.361 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.2 -62.8 0.52 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 169.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -94.32 179.28 5.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -115.31 168.28 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.639 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.58 -25.85 26.46 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.083 -166.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -22.4 61.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.958 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.91 30.78 6.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.515 -170.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t -104.48 101.73 11.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.795 -171.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.79 49.97 1.19 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.165 167.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.05 159.34 14.32 Favored Pre-proline 0 CA--C 1.512 -0.483 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.533 -177.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.69 171.22 7.33 Favored 'Trans proline' 0 C--N 1.359 1.129 0 N-CA-C 110.192 -0.734 . . . . 0.0 110.192 -163.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -82.52 0.49 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.367 -165.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.98 -33.74 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.607 -173.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.61 139.3 57.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.569 -161.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.11 135.44 8.77 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 169.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.34 102.12 14.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.512 0.672 . . . . 0.0 110.35 166.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.424 ' HA ' ' HA2' ' A' ' 40' ' ' GLY . 19.3 t-105 -82.61 -9.23 59.48 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.226 176.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -61.22 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.815 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -79.9 -31.79 40.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.521 168.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 37' ' ' TRP . . . 101.01 26.15 8.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 172.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.84 174.64 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.335 -168.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.39 -174.89 2.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.329 167.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.62 -24.74 30.91 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -150.09 178.8 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.379 -0.41 . . . . 0.0 110.388 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 46' ' ' MET . 10.7 tp-100 -113.85 171.52 7.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.313 170.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.464 ' N ' ' HG3' ' A' ' 45' ' ' GLN . 19.9 ptt? -62.01 -31.64 72.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.419 178.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -45.54 93.19 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.509 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.08 -26.14 62.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.469 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.67 116.75 12.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.49 -167.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -65.47 -26.95 68.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.527 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 57.67 -87.88 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.519 -166.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -79.63 -76.89 0.2 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.542 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 54' ' ' ALA . 17.1 pt20 -174.6 -51.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.368 -171.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 53' ' ' GLN . . . 61.53 92.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.352 -167.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 t30 . . . . . 0 C--O 1.241 0.612 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.291 170.389 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttp . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 121.213 0.53 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.95 161.08 30.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.364 -171.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -62.28 98.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.3 -170.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.31 44.02 1.23 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 169.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -61.76 109.56 1.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.145 0.498 . . . . 0.0 110.349 -168.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -117.35 -52.86 2.47 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.429 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.5 84.22 0.15 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.44 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.455 ' HB2' ' NH2' ' A' ' 10' ' ' ARG . 2.4 p30 -105.73 167.49 9.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.355 -169.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -171.74 116.47 0.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.378 169.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' NH2' ' HB2' ' A' ' 8' ' ' ASN . 3.6 mmp_? -71.6 -167.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.453 168.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -175.07 0.06 Allowed 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.557 -178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 tt -160.7 166.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.473 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 13' ' ' ILE . 6.9 tp -175.86 168.3 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.151 -163.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 53.95 167.67 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 123.001 0.52 . . . . 0.0 112.391 174.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t -61.52 123.68 18.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 113.856 -1.52 . . . . 0.0 109.895 -168.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -69.65 -21.32 63.55 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.39 -50.16 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.889 -156.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 p -92.77 -39.38 11.27 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.497 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.05 3.8 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.558 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -120.33 148.05 44.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 114.949 -0.625 . . . . 0.0 110.367 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -101.37 128.47 47.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.555 170.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.5 -45.57 0.65 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -126.21 170.18 12.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.402 0.62 . . . . 0.0 110.389 174.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.414 HG12 ' HB2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -106.96 167.66 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.775 178.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.85 -21.33 25.08 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.303 -165.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.49 -34.33 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.539 166.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' HB2' HG12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -81.48 -19.1 43.04 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.285 176.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.2 t -85.4 124.09 31.6 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.881 -159.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -121.02 46.82 1.94 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.142 166.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.67 134.94 88.17 Favored Pre-proline 0 N--CA 1.471 0.595 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.52 -171.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -65.89 -162.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.357 0.985 0 N-CA-C 109.599 -0.962 . . . . 0.0 109.599 -162.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -171.53 116.11 0.4 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.249 165.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 64.99 142.49 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.552 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.82 -176.52 0.46 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.333 168.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.08 -88.51 0.11 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -166.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t -61.19 124.97 22.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.161 -0.52 . . . . 0.0 110.268 163.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.72 -29.23 69.23 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.151 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -79.77 -68.17 0.69 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.049 -171.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.67 -20.5 18.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.643 -165.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.05 -30.12 10.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 160.34 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 114.948 -0.626 . . . . 0.0 110.474 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.21 142.79 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.387 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.19 23.97 4.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -168.72 179.25 4.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.352 -0.424 . . . . 0.0 110.185 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.05 -179.74 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.418 167.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.22 -41.19 98.17 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.724 -171.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -18.13 63.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.367 -171.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -122.52 30.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.518 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 t -99.02 121.85 41.5 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.472 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -24.03 65.36 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.527 174.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 57.77 173.49 0.05 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.424 167.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.08 115.47 0.04 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.212 -167.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -98.17 37.89 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.315 -166.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.66 138.68 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.203 167.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 C--O 1.241 0.632 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.27 -168.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 121.524 0.678 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -87.45 0.01 OUTLIER 'General case' 0 CA--C 1.523 -0.091 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.53 -171.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.85 -169.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.38 169.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -100.29 0.08 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 168.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 61.75 -172.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.397 -0.402 . . . . 0.0 110.362 168.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -149.89 113.27 4.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.343 169.513 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -174.78 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.392 169.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -124.37 115.02 20.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.414 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -158.81 137.11 10.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.369 -169.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -131.2 85.0 2.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.477 168.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 11' ' ' LYS . 20.7 mmmt -149.98 151.76 33.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.272 173.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.72 31.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.736 -167.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 pt -90.5 109.88 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.35 -170.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? 178.31 165.68 0.78 Allowed 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.303 -170.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 t -62.79 121.7 14.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.945 166.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -69.29 -18.86 63.89 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -93.68 -53.01 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.551 0.691 . . . . 0.0 109.94 -158.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -90.09 -39.59 12.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.445 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.72 -48.53 0.97 Allowed Glycine 0 CA--C 1.526 0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.546 -173.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 161.08 9.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.157 -0.521 . . . . 0.0 110.449 -168.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.74 49.6 1.61 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.397 -167.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.46 -23.91 6.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 174.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -150.15 171.06 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 -166.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.19 167.47 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.776 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.93 -21.29 23.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.324 -164.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -67.73 -28.4 67.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.544 167.665 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -78.89 -18.84 53.23 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.302 173.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.2 t -89.37 106.57 18.54 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.91 -158.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.79 62.11 0.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 123.207 1.479 . . . . 0.0 109.799 157.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.16 131.14 89.69 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.63 175.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -64.91 158.6 50.43 Favored 'Trans proline' 0 N--CA 1.45 -1.069 0 N-CA-C 109.833 -0.872 . . . . 0.0 109.833 -160.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.8 138.93 0.09 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.992 166.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.6 -164.77 0.25 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.181 164.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.48 147.54 0.06 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.496 -167.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.55 -84.4 0.08 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -164.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.54 125.98 25.71 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.303 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.93 -30.47 70.23 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.884 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' NZ ' ' HG3' ' A' ' 51' ' ' GLU . 14.3 ttpp -84.19 -69.97 0.6 Allowed 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.089 -169.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -89.87 -30.35 17.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.773 -167.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.49 30.48 9.1 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.552 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.32 169.07 16.92 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.855 -0.672 . . . . 0.0 110.526 175.457 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.76 45.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.306 -166.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.65 73.78 0.03 OUTLIER Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 165.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 3.4 p-80 -163.35 -179.45 6.57 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 122.575 -0.367 . . . . 0.0 110.112 160.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -165.56 1.32 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.302 165.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.6 ttp -62.48 -36.59 82.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -64.38 -29.58 70.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.444 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -119.83 25.35 10.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.474 -176.344 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 3.9 t -69.31 150.03 47.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.181 169.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.6 m -58.2 -17.71 20.88 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.158 163.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HG3' ' NZ ' ' A' ' 38' ' ' LYS . 4.0 mm-40 -73.65 68.59 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.237 164.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 20.7 ttt180 -175.59 152.07 1.27 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.273 -173.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.468 ' N ' ' HG2' ' A' ' 52' ' ' ARG . 38.8 tp60 -175.97 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.45 167.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.47 -85.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.658 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.603 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.314 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.277 0.561 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -163.14 25.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.336 -171.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.23 123.68 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.339 169.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.91 -174.9 13.75 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 170.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -172.93 116.59 0.29 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.35 -169.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.56 100.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.329 168.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -165.27 176.18 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.299 168.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -131.76 164.1 26.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.365 -167.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -101.29 -165.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.334 168.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -130.43 -81.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.441 169.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 5.8 tppt? 61.43 107.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.509 168.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -157.12 118.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.403 -174.078 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 tt -176.56 56.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.461 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 56.12 172.95 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.889 -174.178 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t -110.36 121.01 44.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.148 -163.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 t -90.89 119.18 30.88 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 49.22 1.21 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.109 166.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 147.1 94.67 Favored Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.628 -172.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -83.52 -176.03 2.57 Favored 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 109.742 -0.907 . . . . 0.0 109.742 159.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 179.95 77.44 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.136 160.512 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.66 166.47 2.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.593 -177.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 169.91 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.343 -169.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.53 -168.04 21.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 164.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.2 128.74 37.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 165.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CD ' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 41' ' ' LYS . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t -79.07 146.06 33.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.22 31.44 2.19 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.607 165.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 58.02 169.82 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.056 168.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' NE ' ' CD ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -110.25 24.64 12.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 -166.23 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -102.8 24.61 10.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.4 -162.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.254 169.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.241 0.61 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 169.758 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.277 0.561 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -163.14 25.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.336 -171.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.23 123.68 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.339 169.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.91 -174.9 13.75 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 170.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -172.93 116.59 0.29 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.35 -169.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.56 100.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.329 168.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -165.27 176.18 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.299 168.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -131.76 164.1 26.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.365 -167.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -101.29 -165.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.334 168.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -130.43 -81.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.441 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 5.8 tppt? 61.43 107.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.509 168.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -157.12 118.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.403 -174.078 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 tt -176.56 56.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.461 171.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 56.12 172.95 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.889 -174.178 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t -110.36 121.01 44.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.148 -163.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 t -90.89 119.18 30.88 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 49.22 1.21 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.109 166.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 147.1 94.67 Favored Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.628 -172.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -83.52 -176.03 2.57 Favored 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 109.742 -0.907 . . . . 0.0 109.742 159.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 179.95 77.44 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.136 160.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.66 166.47 2.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.593 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 169.91 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.343 -169.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.53 -168.04 21.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 164.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.2 128.74 37.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 165.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CD ' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 41' ' ' LYS . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t -79.07 146.06 33.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.22 31.44 2.19 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.607 165.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 58.02 169.82 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.056 168.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' NE ' ' CD ' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -110.25 24.64 12.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 -166.23 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -102.8 24.61 10.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.4 -162.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.254 169.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.241 0.61 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 169.758 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.218 0.532 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.97 -79.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.403 171.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.6 tpt85 -166.66 164.51 16.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.403 -169.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.68 -24.38 64.18 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 169.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t30 69.41 95.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.356 -170.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 70.71 126.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.295 168.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -62.02 97.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.249 168.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.61 -46.21 5.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.383 -168.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -86.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.39 171.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.41 158.49 44.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.352 -169.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' HG22 ' A' ' 12' ' ' ILE . 1.0 OUTLIER 179.29 -168.82 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.31 -169.264 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.432 HG22 ' HD3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -61.82 107.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.339 167.714 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG22 HD11 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -61.62 110.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.37 -168.192 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CB ' ' HA ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -145.56 171.44 14.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.432 -166.236 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t -102.08 125.05 48.68 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.801 -165.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.67 -21.86 66.59 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.677 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 11.8 t30 -93.89 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.791 -160.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.45 -22.7 18.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.953 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.53 -21.39 39.16 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' CD ' ' HG2' ' A' ' 42' ' ' GLU . 10.0 mmtt -77.29 128.06 33.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.268 0.556 . . . . 0.0 110.381 -163.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HG3' ' CD ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -87.8 106.71 18.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.307 -171.199 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.51 -79.14 0.09 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -168.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -93.37 171.52 8.86 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 17.9 pt -100.57 161.23 3.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.393 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -58.98 -16.01 15.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.036 172.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.409 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.66 -50.18 70.29 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.583 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -97.64 30.63 2.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.521 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.2 t -104.34 120.56 41.47 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.752 -172.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 61.38 1.43 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.182 151.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.34 147.59 98.85 Favored Pre-proline 0 N--CA 1.473 0.679 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.313 -158.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 33' ' ' LYS . 56.4 Cg_endo -83.52 -136.38 0.02 OUTLIER 'Trans proline' 0 C--O 1.238 0.483 0 N-CA-C 108.582 -1.353 . . . . 0.0 108.582 150.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' CD ' ' N ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -131.49 101.51 5.55 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.704 156.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 31' ' ' PRO . 5.8 mmtp -119.44 -28.92 5.25 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.505 -160.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' HD2' ' NE1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER 56.5 -175.78 0.06 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.662 -171.336 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 42' ' ' GLU . . . -138.82 -99.3 0.46 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 -165.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.98 110.84 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.479 -0.36 . . . . 0.0 110.215 167.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.465 ' NE1' ' HD2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.77 34.74 1.99 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.381 173.416 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -109.68 -36.21 6.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.521 169.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -116.23 -41.33 3.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.594 -176.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.27 -24.43 3.24 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.574 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' CD ' ' HG3' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -71.5 -178.77 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.142 0.496 . . . . 0.0 110.53 -170.077 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 10.7 mp0 -138.73 20.1 2.68 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.401 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.64 -24.24 21.44 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.509 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 48' ' ' ASP . 9.6 p-80 -147.08 -179.62 6.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.42 -0.39 . . . . 0.0 110.221 -168.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -168.29 1.41 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 114.309 -1.314 . . . . 0.0 110.084 169.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.425 ' HE3' ' HB2' ' A' ' 46' ' ' MET . 2.1 ppp? -60.64 -24.73 65.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.301 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -51.71 66.79 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.461 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 38.7 t70 -98.8 30.9 3.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.439 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 t -80.86 146.18 30.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.137 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.4 m -95.99 33.32 1.72 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.565 165.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.45 -168.86 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.282 -1.326 . . . . 0.0 110.451 174.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 52' ' ' ARG . 2.2 mtp-105 -158.57 33.26 0.23 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.443 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -98.58 147.96 24.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.361 168.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.79 122.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.257 -169.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--O 1.24 0.574 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.291 169.368 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ttt . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.255 0.55 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 65.36 69.61 0.47 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.398 170.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 -117.15 102.12 9.03 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.432 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 -46.36 0.19 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -169.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -108.63 -78.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.365 -0.418 . . . . 0.0 110.312 -169.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -62.53 102.98 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.385 -168.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 29.54 2.7 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.396 175.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -123.28 101.32 7.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.35 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.23 26.4 5.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.438 168.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -66.24 -80.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.39 -171.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? 61.81 -169.65 0.17 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.34 -168.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 tt -175.79 65.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.615 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 pp -88.04 58.96 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.326 -171.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.69 144.26 0.13 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.414 -175.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 t -103.46 130.62 50.85 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.691 -168.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -62.89 -22.96 67.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.485 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.9 -58.37 1.89 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.151 -157.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -87.91 -30.67 19.93 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.663 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.18 -33.97 5.81 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.522 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.7 151.3 34.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.094 0.473 . . . . 0.0 110.388 -167.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.85 127.61 42.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.504 171.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.13 -43.85 0.49 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -129.04 164.39 23.35 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.476 0.655 . . . . 0.0 110.481 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.51 164.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.471 173.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.09 -16.94 51.72 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.491 -161.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -23.52 62.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.918 171.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.34 29.96 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.435 -169.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t -93.32 97.06 10.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.753 -169.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.29 66.19 1.28 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.586 154.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.91 132.4 93.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.348 -171.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -63.99 171.3 7.63 Favored 'Trans proline' 0 C--N 1.358 1.065 0 N-CA-C 110.075 -0.779 . . . . 0.0 110.075 -157.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -119.89 109.57 15.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.273 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 88.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.349 -168.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.62 162.42 30.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.435 -177.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.71 -135.04 7.41 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 170.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.6 t -97.43 127.69 43.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.518 0.675 . . . . 0.0 110.335 169.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -81.2 -24.97 37.1 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.828 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.67 -47.48 13.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.506 -166.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -95.78 -25.93 15.87 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.585 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.51 -24.2 30.67 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -77.55 142.66 38.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.359 -0.421 . . . . 0.0 110.393 -169.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -99.73 98.62 9.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.422 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -172.7 -65.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -170.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -109.68 170.71 7.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.371 0.605 . . . . 0.0 110.435 -171.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -114.23 160.9 18.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.405 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.85 -30.41 70.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.354 -171.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -17.63 55.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.505 175.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -107.62 -30.16 8.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.459 174.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t -64.12 121.62 14.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.422 -174.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -133.91 27.24 3.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.455 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.51 20.54 6.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.385 167.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 61.35 106.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.446 -169.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.6 -45.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.442 171.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.58 97.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.38 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 C--O 1.24 0.572 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.367 169.374 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 121.22 0.533 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 69.02 -72.29 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.42 -171.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.69 120.83 30.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.336 169.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.98 -82.03 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 169.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -66.86 127.02 30.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.351 -0.425 . . . . 0.0 110.313 169.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.0 -174.82 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.321 169.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.3 138.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.369 169.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -170.91 120.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.379 169.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 67.64 158.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.406 -170.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' CD ' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -169.03 29.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.424 -170.364 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -114.43 -69.58 0.85 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.485 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -87.23 161.93 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.478 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD12 HG21 ' A' ' 24' ' ' ILE . 14.5 pt -93.13 70.61 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.567 -161.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 173.02 1.1 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.048 162.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t -93.27 121.33 34.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.793 -162.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -71.34 -19.4 62.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.555 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -92.12 -51.27 5.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.479 0.656 . . . . 0.0 109.943 -157.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -31.36 16.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.725 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.61 -23.81 16.78 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 159.59 12.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 -168.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.51 95.86 5.47 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.513 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.96 -63.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -171.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -108.82 -177.27 3.27 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.877 -0.661 . . . . 0.0 110.341 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.402 HG21 HD12 ' A' ' 13' ' ' ILE . 32.8 pt -115.6 169.68 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.655 -175.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.87 -21.21 25.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.065 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -22.76 62.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 170.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -123.78 29.61 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.549 -169.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t -103.89 97.1 7.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.798 -168.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 0.9 OUTLIER -97.18 65.11 1.98 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.535 1.159 . . . . 0.0 109.817 157.239 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.71 138.82 97.58 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.767 -176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.61 -170.36 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 N-CA-C 109.815 -0.879 . . . . 0.0 109.815 -160.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.94 72.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.477 166.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -178.31 79.65 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.046 174.017 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -175.36 143.02 0.63 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.431 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.88 -127.8 3.0 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 164.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 t -103.54 109.93 21.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.372 -0.414 . . . . 0.0 110.184 164.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -95.17 19.69 10.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.231 -176.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 -70.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.066 166.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.9 p -73.73 -42.4 61.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.504 -175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.49 30.98 3.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -122.83 172.69 8.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.01 96.19 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.408 -169.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.48 49.52 0.03 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 166.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 179.37 -179.9 0.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.151 167.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.16 176.7 7.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.419 169.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.64 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.503 -168.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -20.03 63.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.45 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.94 -25.87 13.63 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.499 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.45 117.25 7.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.422 -168.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.06 22.93 4.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.339 168.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 58.55 -87.96 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.395 -169.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.94 163.65 37.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.378 170.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -132.18 -176.56 4.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.365 -169.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.52 -175.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.341 169.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--O 1.24 0.566 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.367 169.436 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 mtt . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 121.205 0.526 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 61.85 -166.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.321 170.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 65.52 -78.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.535 171.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.02 -167.17 17.16 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -162.94 -174.98 4.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.323 -0.439 . . . . 0.0 110.366 -169.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.84 -80.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.348 169.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 61.58 86.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.465 168.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -111.03 133.85 53.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.346 -170.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.03 161.66 22.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.332 169.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -144.55 100.63 3.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.371 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 138.06 41.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.275 167.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.31 54.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.972 -164.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -89.47 150.1 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.382 -174.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -116.73 126.44 53.14 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.278 -166.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t -62.32 135.44 57.46 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.713 163.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -26.76 68.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.025 -1.443 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -99.1 -58.47 1.93 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.867 -159.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 26.0 p -90.54 -27.56 19.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.992 -175.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.78 -29.9 10.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.1 158.92 15.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.875 -0.663 . . . . 0.0 110.364 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -90.78 144.28 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.275 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.38 25.16 6.78 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 160.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -166.56 155.34 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.51 . . . . 0.0 110.341 159.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.1 pt -93.05 166.52 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.128 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.45 -23.3 46.63 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.082 -162.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -59.7 -29.26 67.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.654 168.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -112.95 34.2 4.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.495 -172.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.6 t -92.68 97.58 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.755 -170.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.52 68.56 1.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.308 151.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . . . -59.45 145.0 83.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.104 -167.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -62.78 167.94 11.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 N-CA-C 110.124 -0.76 . . . . 0.0 110.124 -155.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -123.43 -163.79 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.072 168.689 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -97.03 25.67 5.23 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.8 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -142.8 114.53 8.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.251 164.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.03 -167.08 15.28 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 168.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t -70.12 129.23 38.85 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.323 -0.438 . . . . 0.0 110.334 170.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -63.37 -30.28 71.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.943 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -81.22 -68.8 0.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.065 -171.214 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.62 -25.83 17.34 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.793 -168.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.94 24.13 58.38 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 174.89 6.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.222 167.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -118.2 100.68 7.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.331 -169.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.62 49.27 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 165.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -178.83 -176.72 0.47 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.404 -0.398 . . . . 0.0 110.164 164.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -128.79 170.99 12.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.425 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.72 -35.04 76.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.445 -170.324 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.76 -16.74 52.11 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.614 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.9 35.04 1.25 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.4 t -61.73 115.68 4.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.356 165.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.9 t -97.95 28.8 3.74 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.438 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -23.15 64.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.439 166.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.94 -166.53 1.74 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.282 167.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 69.83 -165.96 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.399 168.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.78 159.76 0.06 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.349 -166.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--O 1.24 0.555 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.277 -168.196 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 mtm . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.408 0.623 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 69.42 -65.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.411 -171.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 64.5 114.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.329 -169.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.99 136.02 3.81 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 169.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -173.11 84.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.369 -0.415 . . . . 0.0 110.279 -170.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.48 133.0 44.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.266 -166.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.458 ' NH2' HD11 ' A' ' 13' ' ' ILE . 8.0 mtp180 -136.31 -81.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.251 166.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 t30 61.33 82.47 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.495 166.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' HG2' ' HB ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -179.5 174.9 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.339 173.864 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -147.0 30.3 0.96 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.496 167.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -163.49 22.13 0.08 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.626 172.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' HB ' ' HG2' ' A' ' 9' ' ' GLN . 9.5 mm -138.5 172.74 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.182 167.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.458 HD11 ' NH2' ' A' ' 7' ' ' ARG . 4.2 tp -160.46 84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.483 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 176.11 9.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.302 167.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.3 t -100.34 126.27 46.67 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.666 -165.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -21.63 62.08 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.276 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -91.72 -49.81 6.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.303 0.573 . . . . 0.0 109.92 -156.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.32 -37.9 9.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.833 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.51 -32.09 4.61 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.546 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -61.11 175.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.245 -0.478 . . . . 0.0 110.534 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -115.52 -24.29 8.4 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.433 -165.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.3 -22.92 61.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -166.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -144.42 177.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.112 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.433 HG22 HG13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.75 165.57 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.855 -172.301 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.96 -27.85 26.22 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.077 -163.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -23.32 63.28 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.869 171.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.42 ' HB2' HG12 ' A' ' 24' ' ' ILE . 1.1 m120 -99.38 -19.47 16.98 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.365 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t -87.05 119.0 26.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.095 -158.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.34 45.04 1.05 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.121 169.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 138.5 80.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.364 171.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -65.58 113.75 2.63 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 N-CA-C 109.652 -0.942 . . . . 0.0 109.652 -163.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HG2' ' NH1' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -143.17 74.58 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.288 162.276 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -91.95 -25.27 18.96 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.35 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' NE ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -97.74 131.29 44.4 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.205 -163.603 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.44 -27.21 13.56 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 160.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -97.67 122.89 41.28 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.33 -0.435 . . . . 0.0 109.981 161.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -90.58 25.89 2.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.756 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 -57.85 2.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.071 175.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HB3' ' HG3' ' A' ' 51' ' ' GLU . 22.1 p -97.2 -41.67 8.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.559 -175.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA3' ' NE ' ' A' ' 34' ' ' ARG . . . 109.98 28.4 4.19 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.549 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 175.81 6.8 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.339 170.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.32 -24.83 12.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.646 -165.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -59.7 0.85 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -161.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -85.54 -179.97 7.01 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 122.495 -0.415 . . . . 0.0 110.395 -161.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -119.43 -177.13 3.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.49 168.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -28.23 68.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.245 -172.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -62.04 -23.61 66.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.476 -171.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.01 22.89 6.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.188 -172.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.98 127.35 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.452 -170.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.2 p -59.61 -18.55 42.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.117 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' A' ' 39' ' ' CYS . 13.0 mt-10 -94.46 46.44 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.424 168.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -88.45 85.57 6.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.392 168.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.32 70.85 1.27 Allowed 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.429 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.53 177.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.331 -169.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--O 1.239 0.551 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.373 -170.11 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtm . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 121.134 0.492 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -121.97 119.79 32.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.362 -170.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.427 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 61.73 30.07 18.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.398 -171.548 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.86 125.91 3.61 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.431 -1.067 . . . . 0.0 110.431 169.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -65.47 -167.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.386 -0.407 . . . . 0.0 110.391 170.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -68.86 82.18 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.345 -169.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -146.65 -176.39 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.374 -169.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 69.66 141.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.409 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.96 -167.02 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.371 169.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.72 -175.13 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.325 -169.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.42 110.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.496 -168.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.24 -52.14 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.893 -172.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -158.1 119.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.386 -167.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.3 168.72 25.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.448 168.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t -62.74 125.8 25.19 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.988 171.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.53 -20.13 61.4 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.379 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.46 -51.55 4.72 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.357 0.599 . . . . 0.0 109.917 -156.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -87.96 -24.59 23.52 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.572 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.67 -33.16 6.79 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 171.62 11.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.52 -168.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HG3' ' HB3' ' A' ' 3' ' ' ARG . 4.8 pt-20 -119.65 141.65 49.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.433 -171.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.26 22.6 4.8 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.712 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -178.78 164.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 110.027 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 pt -102.11 166.89 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.716 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.2 -15.01 52.17 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 -165.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -31.74 71.53 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.489 174.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -111.49 26.69 10.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.57 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 t -102.5 90.96 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.752 -171.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 64.9 4.96 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.379 1.085 . . . . 0.0 109.774 158.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 141.75 98.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.8 -174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -63.76 166.72 15.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 N-CA-C 110.12 -0.761 . . . . 0.0 110.12 -158.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -135.07 -174.84 3.72 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.371 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.03 -177.98 4.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.433 -171.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.22 -166.68 1.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.275 -168.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.56 -93.52 0.12 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.4 t -61.6 117.83 6.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.254 -0.473 . . . . 0.0 110.31 169.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -25.28 68.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.703 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -65.78 0.94 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.076 -170.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.1 p -93.01 -18.7 22.37 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.735 -165.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.32 24.2 66.39 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -100.25 174.46 6.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.237 168.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -120.03 105.39 10.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 -167.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.89 52.81 0.26 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 164.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -177.77 176.31 1.23 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.096 162.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -120.58 179.04 4.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 114.218 -1.355 . . . . 0.0 110.393 171.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.58 -27.18 69.01 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.507 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -61.88 -16.56 51.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.468 -170.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.55 30.8 1.7 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.549 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -98.52 126.22 44.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.313 172.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.7 m -139.57 22.62 2.51 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.646 165.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 57.27 20.3 5.67 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.395 168.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.75 -171.57 2.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.406 -166.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.13 24.25 12.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.37 -169.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -136.36 32.26 2.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.26 169.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.241 0.61 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.328 169.412 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 mmt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.401 0.62 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.96 38.8 0.26 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.421 172.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.54 -176.48 4.35 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.461 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.23 89.16 2.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -169.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -166.35 164.39 17.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.355 -0.423 . . . . 0.0 110.332 -169.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.86 106.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.315 169.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.43 98.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.447 169.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -170.11 -45.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.353 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 69.03 -172.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.386 169.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.92 -177.22 3.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.349 -169.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -65.14 103.2 0.73 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.383 -169.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.7 tt -157.57 -44.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.454 169.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' A' ' 21' ' ' GLU . 2.0 pp -92.9 121.43 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.41 -166.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 179.02 108.45 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.507 178.178 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t -62.4 133.7 55.41 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.779 161.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.469 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -67.01 -23.11 65.88 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.331 -177.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -100.31 -55.79 2.52 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.433 0.635 . . . . 0.0 110.058 -158.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -90.56 -30.31 17.32 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.648 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.43 -25.58 27.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 153.45 28.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.352 170.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 13' ' ' ILE . 1.3 pp20? -79.29 -159.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.338 168.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.17 5.49 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 169.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -153.39 165.57 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 110.416 -168.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -98.95 165.91 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.611 177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.6 -26.95 29.56 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.226 -163.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.374 167.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -102.15 32.47 3.48 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 t -111.45 124.2 51.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.952 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -122.35 43.2 2.95 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.022 164.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.37 139.09 84.93 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 114.647 -1.161 . . . . 0.0 111.196 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -65.79 108.15 1.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 -164.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -35.93 6.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.325 165.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.85 124.08 30.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.43 169.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.43 -177.49 3.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.369 -170.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.43 -155.9 7.45 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -168.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t -120.99 128.73 52.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.167 -167.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -30.06 68.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.123 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -70.05 0.45 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.929 -172.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.61 -14.88 34.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.834 -169.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 23.78 72.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.87 162.3 13.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.428 -0.386 . . . . 0.0 110.351 168.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -110.29 94.91 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.436 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.84 50.24 0.04 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 166.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 48' ' ' ASP . 2.3 p-80 -178.4 171.1 1.64 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 122.601 -0.352 . . . . 0.0 110.107 161.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.01 -175.08 2.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 113.403 -1.726 . . . . 0.0 110.136 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 tpt -61.19 -36.2 79.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.484 171.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -78.52 -25.68 45.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.582 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' CB ' ' HB2' ' A' ' 44' ' ' HIS . 16.2 m-20 -103.16 26.5 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.39 171.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t -80.41 151.27 29.45 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.089 170.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.1 t -58.65 -19.07 35.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.05 162.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 52' ' ' ARG . 2.8 pt-20 57.25 -159.29 0.25 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.171 162.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -137.96 104.17 5.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.302 165.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.5 -177.41 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.357 -168.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.3 -47.03 0.99 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.216 -169.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--O 1.24 0.557 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.73 -178.768 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.237 0.404 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -20.96 62.59 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.596 -177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -100.7 -56.42 2.34 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.045 -160.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.83 -27.68 19.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.816 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.99 -29.71 10.72 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -69.07 154.23 42.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.879 -0.661 . . . . 0.0 110.426 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.63 149.33 23.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.423 -171.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.96 -30.35 3.08 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 170.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -128.91 162.18 28.14 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.907 -0.647 . . . . 0.0 110.473 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.4 pt -95.83 166.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.463 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.25 39.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.212 -162.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -59.92 -29.87 68.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.824 171.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.07 39.12 2.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.46 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.2 t . . . . . 0 C--O 1.234 0.268 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.824 -172.733 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.292 0.568 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -85.18 -27.58 26.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.043 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.4 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.334 -169.547 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.8 p -109.6 -48.66 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.712 167.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 -23.17 2.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.17 169.14 12.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.337 -170.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -125.88 35.49 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.435 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.14 -24.12 35.6 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -151.78 -178.92 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.342 -168.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -130.31 153.34 48.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.424 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.438 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -61.81 -32.81 73.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -171.605 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -15.03 32.47 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.667 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.72 -25.88 9.27 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.448 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.235 0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.206 -164.899 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -70.93 -20.23 62.49 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.772 -1.103 . . . . 0.0 111.39 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.405 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 5.6 t30 -93.07 -51.19 5.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.386 0.612 . . . . 0.0 109.918 -157.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.47 -33.7 15.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.543 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.08 -31.31 7.07 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -62.53 176.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.41 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.08 140.07 48.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.467 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 24.44 3.59 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -173.91 167.59 4.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.239 0.542 . . . . 0.0 110.283 166.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 pt -100.99 167.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.589 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -85.32 -25.59 27.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.202 -165.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.09 69.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.515 169.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -105.87 31.29 5.15 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.677 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t . . . . . 0 N--CA 1.466 0.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.984 -171.785 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.21 36.47 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.765 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -80.47 -36.57 33.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.373 -164.589 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -107.7 -47.69 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.672 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.52 -24.29 3.93 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.05 174.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.445 . . . . 0.0 110.382 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -124.92 25.05 7.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.456 -171.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.37 -50.27 0.77 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -113.02 171.39 7.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.416 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HG2' ' HB2' ' A' ' 48' ' ' ASP . 3.2 pt20 -108.62 160.85 15.6 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.24 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG3' ' HB2' ' A' ' 38' ' ' LYS . 27.1 ttp -67.96 -33.41 74.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.44 -170.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -67.95 -24.02 65.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.456 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.416 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -82.92 -32.31 27.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.306 170.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.235 0.302 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.36 -162.156 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.21 -19.35 62.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.531 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -92.62 -50.86 5.39 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.912 -157.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.32 -35.97 14.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.558 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.86 25.72 24.16 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -101.91 177.07 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.399 171.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -111.93 138.13 48.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.443 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.97 24.75 3.82 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -173.9 174.4 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.225 0.535 . . . . 0.0 110.31 165.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.0 pt -111.28 167.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.655 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.61 30.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.136 -164.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -25.69 65.78 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.696 170.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -114.11 29.46 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.595 -172.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.856 -170.185 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.901 0.381 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -103.95 24.44 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.582 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -95.88 -64.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.002 165.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.47 -30.7 29.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.668 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.93 6.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 166.41 3.97 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.035 -0.582 . . . . 0.0 110.546 -176.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.51 76.91 1.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.436 -169.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.07 27.61 0.13 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 174.37 -174.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.277 -0.461 . . . . 0.0 110.222 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.39 155.54 24.01 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.447 178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 74.0 mtp -61.67 -47.09 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.515 -171.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -29.43 70.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.493 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.1 28.54 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.49 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.454 -0.226 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.439 174.165 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.13 -20.76 60.86 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.038 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -96.22 -52.05 4.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.43 0.634 . . . . 0.0 109.984 -158.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -90.91 -30.83 16.66 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.595 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.77 -36.02 4.64 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.08 166.5 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.032 0.444 . . . . 0.0 110.307 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.93 128.44 54.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 -170.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.97 24.23 2.55 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -165.48 164.57 19.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 110.207 161.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.637 HD12 ' HG2' ' A' ' 26' ' ' LYS . 16.8 pt -106.03 162.89 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.717 0.77 . . . . 0.0 111.002 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 -15.81 57.25 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.104 -159.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.637 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -78.44 -23.17 46.72 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.017 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -105.04 26.97 8.62 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.65 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.806 -179.603 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.763 0.316 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -29.32 52.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.871 177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.72 -42.8 90.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.468 -167.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -111.17 -36.93 5.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.686 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.87 4.73 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.49 151.44 50.97 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 114.718 -0.741 . . . . 0.0 110.174 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -112.94 77.62 1.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.841 0.829 . . . . 0.0 110.488 -166.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.62 31.61 0.1 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 178.31 112.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.173 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -65.21 159.77 22.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.37 -171.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mtp -61.73 -24.69 66.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.495 -169.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -18.98 62.48 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.621 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.73 -25.58 13.48 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.449 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.235 0.312 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.293 -164.285 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -74.54 -22.16 59.16 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.039 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 3.8 t30 -94.55 -50.92 4.98 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.925 -156.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -88.96 -23.16 22.73 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.621 169.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.35 -35.3 4.79 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 167.17 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.414 -168.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -106.33 141.45 37.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.349 -170.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.0 24.18 4.33 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -173.98 160.18 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.326 0.584 . . . . 0.0 110.391 167.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.9 pt -94.77 165.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.451 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -79.53 -25.82 41.64 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.232 -161.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.75 -28.8 67.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.781 169.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -107.57 30.52 6.2 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.451 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.896 -167.346 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.554 0.216 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -96.99 31.2 2.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.601 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -121.76 -62.7 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.922 176.275 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -86.64 -17.55 33.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.646 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.77 30.84 61.1 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 174.94 9.39 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.869 -0.665 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -110.53 155.0 22.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.405 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.94 23.06 7.96 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 179.77 159.59 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.325 0.583 . . . . 0.0 110.283 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.54 155.89 18.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.414 -173.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 4.3 tmm? -71.68 -37.05 70.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.372 -166.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -18.31 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.332 169.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.67 -31.34 16.65 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.414 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.233 0.231 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.332 -164.46 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.234 0.266 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -20.88 65.44 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.093 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -95.66 -54.7 3.27 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.46 0.647 . . . . 0.0 109.935 -157.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -89.73 -27.31 20.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.694 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -65.05 147.56 53.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.359 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.53 159.99 27.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.377 171.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.66 -51.79 0.8 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -118.83 -176.16 3.05 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.455 0.645 . . . . 0.0 110.429 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.2 pt -125.96 166.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.504 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.1 42.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.299 -163.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -22.69 63.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.722 171.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.13 30.34 7.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.711 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.467 0.38 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.878 -170.463 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 121.111 0.482 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -31.5 54.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.061 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -64.09 -63.44 1.15 Allowed 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.839 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.2 p -100.13 -37.94 8.74 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.569 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.64 8.8 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -70.03 173.83 6.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.405 -168.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.59 107.51 9.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.359 -169.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 166.42 -60.64 0.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -169.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -104.55 165.08 11.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.347 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.53 170.64 7.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.382 169.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.68 -35.17 77.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.457 -167.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -22.12 66.67 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.5 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.68 24.9 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.444 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.372 169.697 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.2 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.344 0.592 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.79 -22.01 62.41 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.946 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 4.0 t30 -92.27 -49.88 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.877 -156.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -89.99 -28.28 19.21 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 168.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.84 -31.96 8.09 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 164.41 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.397 -170.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 132.67 50.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.352 -171.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.37 25.04 2.77 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 167.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -171.09 176.03 4.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.302 164.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -112.2 166.98 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.57 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -83.25 -27.54 29.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.237 -164.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -27.96 67.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.613 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -108.08 29.17 7.55 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.637 -173.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.466 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.947 -168.235 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.72 0.295 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.59 31.2 2.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 5.8 tmtt? -115.59 -62.22 1.63 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.026 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 20.4 p -82.65 -33.53 27.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 114.546 -1.207 . . . . 0.0 110.648 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.42 -25.48 11.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 155.56 32.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.388 -170.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.32 25.19 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.396 -170.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.99 -57.37 0.77 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -170.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -112.65 177.47 4.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.311 0.577 . . . . 0.0 110.443 -169.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.44 164.51 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.484 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mtp -63.68 -42.27 98.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.429 -173.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -63.0 -28.63 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.586 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.56 28.03 8.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.416 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.48 175.028 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 121.536 0.684 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.08 -22.36 64.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.782 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.18 -49.95 5.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 -157.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -95.58 -27.16 15.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.74 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.8 -31.05 8.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -69.03 166.23 18.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.231 -0.484 . . . . 0.0 110.31 -171.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -108.03 138.98 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.388 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.54 24.7 3.66 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 169.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -170.24 163.69 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.264 0.555 . . . . 0.0 110.193 164.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -98.08 165.46 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.599 176.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.23 -23.95 28.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.253 -163.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -30.3 70.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 168.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.75 32.18 3.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.895 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.466 0.347 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.025 -175.87 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.699 0.285 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -102.62 29.18 5.46 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.483 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 2.2 tttt -110.72 -48.76 3.1 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.504 173.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.91 -37.95 8.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.597 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.34 -24.96 7.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 170.54 2.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.288 -0.456 . . . . 0.0 110.407 -169.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.03 126.58 51.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.377 168.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.12 -36.52 0.49 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.7 p-80 -145.59 171.1 15.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.389 -0.406 . . . . 0.0 110.373 -168.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -99.36 165.97 11.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.342 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 7.2 mtm -62.2 -48.63 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -61.24 -16.31 43.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.758 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.83 30.14 5.76 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.364 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 21.4 t . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.004 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -71.09 -15.12 62.51 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.036 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.39 -50.25 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.227 0.537 . . . . 0.0 109.896 -158.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.53 -26.77 20.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.626 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.88 -28.28 9.52 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -64.61 153.28 39.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.374 -172.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -96.64 139.14 33.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.361 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.2 -62.8 0.52 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 169.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -94.32 179.28 5.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -115.31 168.28 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.639 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.58 -25.85 26.46 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.083 -166.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -22.4 61.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.958 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.91 30.78 6.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.515 -170.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.466 0.336 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.795 -171.291 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.512 0.672 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.437 ' HA ' ' HA2' ' A' ' 40' ' ' GLY . 19.3 t-105 -82.61 -9.23 59.48 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.226 176.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -61.22 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.815 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -79.9 -31.79 40.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.521 168.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 37' ' ' TRP . . . 101.01 26.15 8.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 172.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.84 174.64 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.335 -168.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.39 -174.89 2.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.329 167.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.62 -24.74 30.91 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -150.09 178.8 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.379 -0.41 . . . . 0.0 110.388 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' HG3' ' H ' ' A' ' 46' ' ' MET . 10.7 tp-100 -113.85 171.52 7.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.313 170.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.459 ' H ' ' HG3' ' A' ' 45' ' ' GLN . 19.9 ptt? -62.01 -31.64 72.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.419 178.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -45.54 93.19 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.509 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.08 -26.14 62.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.469 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.49 -167.598 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t . . . . . 0 C--O 1.233 0.214 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -69.65 -21.32 63.55 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.39 -50.16 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.889 -156.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 p -92.77 -39.38 11.27 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.497 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.05 3.8 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.558 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -120.33 148.05 44.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 114.949 -0.625 . . . . 0.0 110.367 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.37 128.47 47.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.555 170.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.5 -45.57 0.65 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -126.21 170.18 12.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.402 0.62 . . . . 0.0 110.389 174.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.705 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -106.96 167.66 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.775 178.639 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -87.85 -21.33 25.08 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.303 -165.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.49 -34.33 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.539 166.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' HB2' HG12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -81.48 -19.1 43.04 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.285 176.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 27.2 t . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.881 -159.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.878 0.371 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.72 -29.23 69.23 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.151 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -79.77 -68.17 0.69 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.049 -171.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.67 -20.5 18.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.643 -165.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.05 -30.12 10.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 160.34 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 114.948 -0.626 . . . . 0.0 110.474 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.21 142.79 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.387 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.19 23.97 4.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -168.72 179.25 4.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.352 -0.424 . . . . 0.0 110.185 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.05 -179.74 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.418 167.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.451 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.22 -41.19 98.17 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.724 -171.377 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -18.13 63.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.367 -171.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -122.52 30.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.518 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.472 179.758 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -69.29 -18.86 63.89 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -93.68 -53.01 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.551 0.691 . . . . 0.0 109.94 -158.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -90.09 -39.59 12.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.445 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.72 -48.53 0.97 Allowed Glycine 0 CA--C 1.526 0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.546 -173.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 161.08 9.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.157 -0.521 . . . . 0.0 110.449 -168.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.74 49.6 1.61 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.397 -167.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.46 -23.91 6.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 174.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -150.15 171.06 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 -166.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.19 167.47 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.776 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.93 -21.29 23.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.324 -164.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -28.4 67.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.544 167.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -78.89 -18.84 53.23 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.302 173.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.467 0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.91 -158.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.93 -30.47 70.23 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.884 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -84.19 -69.97 0.6 Allowed 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.089 -169.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -89.87 -30.35 17.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.773 -167.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.49 30.48 9.1 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.552 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.32 169.07 16.92 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.855 -0.672 . . . . 0.0 110.526 175.457 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.76 45.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.306 -166.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.65 73.78 0.03 OUTLIER Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 165.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 3.4 p-80 -163.35 -179.45 6.57 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 122.575 -0.367 . . . . 0.0 110.112 160.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -165.56 1.32 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.302 165.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.6 ttp -62.48 -36.59 82.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -64.38 -29.58 70.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.444 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -119.83 25.35 10.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.474 -176.344 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 3.9 t . . . . . 0 C--O 1.235 0.291 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.181 169.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--O 1.238 0.497 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--O 1.238 0.497 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.67 -21.86 66.59 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.677 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -93.89 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.791 -160.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.45 -22.7 18.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.953 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.53 -21.39 39.16 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' CD ' ' HG2' ' A' ' 42' ' ' GLU . 10.0 mmtt -77.29 128.06 33.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.268 0.556 . . . . 0.0 110.381 -163.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -87.8 106.71 18.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.307 -171.199 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.51 -79.14 0.09 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -168.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -93.37 171.52 8.86 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 17.9 pt -100.57 161.23 3.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.393 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -58.98 -16.01 15.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.036 172.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.66 -50.18 70.29 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.583 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -97.64 30.63 2.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.521 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 23.2 t . . . . . 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.752 -172.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.233 0.207 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.77 34.74 1.99 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.381 173.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -109.68 -36.21 6.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.521 169.354 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -116.23 -41.33 3.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.594 -176.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.27 -24.43 3.24 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.574 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HD3' ' CG ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -71.5 -178.77 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.142 0.496 . . . . 0.0 110.53 -170.077 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' HG2' ' CD ' ' A' ' 20' ' ' LYS . 10.7 mp0 -138.73 20.1 2.68 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.401 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.64 -24.24 21.44 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.509 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 48' ' ' ASP . 9.6 p-80 -147.08 -179.62 6.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.42 -0.39 . . . . 0.0 110.221 -168.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -168.29 1.41 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 114.309 -1.314 . . . . 0.0 110.084 169.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.459 ' H ' ' HG3' ' A' ' 46' ' ' MET . 2.1 ppp? -60.64 -24.73 65.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.301 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -51.71 66.79 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.461 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 38.7 t70 -98.8 30.9 3.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.439 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.232 0.179 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.137 176.919 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.236 0.345 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -62.89 -22.96 67.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.485 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.9 -58.37 1.89 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.151 -157.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -87.91 -30.67 19.93 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.663 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.18 -33.97 5.81 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.522 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.7 151.3 34.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.094 0.473 . . . . 0.0 110.388 -167.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.85 127.61 42.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.504 171.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.13 -43.85 0.49 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -129.04 164.39 23.35 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.476 0.655 . . . . 0.0 110.481 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.772 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -99.51 164.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.471 173.61 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.09 -16.94 51.72 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.491 -161.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -23.52 62.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.918 171.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.34 29.96 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.435 -169.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.753 -169.628 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.518 0.675 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -81.2 -24.97 37.1 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.828 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.67 -47.48 13.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.506 -166.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -95.78 -25.93 15.87 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.585 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.51 -24.2 30.67 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -77.55 142.66 38.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.359 -0.421 . . . . 0.0 110.393 -169.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -99.73 98.62 9.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.422 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -172.7 -65.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -170.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -109.68 170.71 7.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.371 0.605 . . . . 0.0 110.435 -171.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -114.23 160.9 18.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.405 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.85 -30.41 70.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.354 -171.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -17.63 55.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.505 175.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -107.62 -30.16 8.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.459 174.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.454 -0.226 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.422 -174.389 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -71.34 -19.4 62.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.555 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -92.12 -51.27 5.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.479 0.656 . . . . 0.0 109.943 -157.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -31.36 16.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.725 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.61 -23.81 16.78 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 159.59 12.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 -168.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.51 95.86 5.47 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.513 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.96 -63.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -171.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -108.82 -177.27 3.27 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.877 -0.661 . . . . 0.0 110.341 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.8 pt -115.6 169.68 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.655 -175.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.87 -21.21 25.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.065 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -22.76 62.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 170.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -123.78 29.61 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.549 -169.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.234 0.283 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.798 -168.66 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.879 0.371 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -95.17 19.69 10.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.231 -176.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 -70.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.066 166.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.9 p -73.73 -42.4 61.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.504 -175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.49 30.98 3.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -122.83 172.69 8.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.01 96.19 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.408 -169.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.48 49.52 0.03 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 166.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 179.37 -179.9 0.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.151 167.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.16 176.7 7.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.419 169.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.64 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.503 -168.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -20.03 63.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.45 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.94 -25.87 13.63 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.499 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.422 -168.002 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.238 0.493 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -26.76 68.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.025 -1.443 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -99.1 -58.47 1.93 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.867 -159.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -90.54 -27.56 19.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.992 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.78 -29.9 10.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.1 158.92 15.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.875 -0.663 . . . . 0.0 110.364 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -90.78 144.28 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.275 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.38 25.16 6.78 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 160.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -166.56 155.34 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.51 . . . . 0.0 110.341 159.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.1 pt -93.05 166.52 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.128 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.45 -23.3 46.63 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.082 -162.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -59.7 -29.26 67.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.654 168.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -112.95 34.2 4.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.495 -172.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.755 -170.27 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.234 0.287 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -63.37 -30.28 71.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.943 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -81.22 -68.8 0.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.065 -171.214 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.62 -25.83 17.34 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.793 -168.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.94 24.13 58.38 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 174.89 6.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.222 167.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -118.2 100.68 7.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.331 -169.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.62 49.27 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 165.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -178.83 -176.72 0.47 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.404 -0.398 . . . . 0.0 110.164 164.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -128.79 170.99 12.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.443 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.72 -35.04 76.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.445 -170.324 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.76 -16.74 52.11 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.614 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.9 35.04 1.25 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.4 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.356 165.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 C--O 1.237 0.422 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -21.63 62.08 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.276 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -91.72 -49.81 6.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.303 0.573 . . . . 0.0 109.92 -156.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.32 -37.9 9.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.833 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.51 -32.09 4.61 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.546 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -61.11 175.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.245 -0.478 . . . . 0.0 110.534 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -115.52 -24.29 8.4 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.433 -165.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.3 -22.92 61.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -166.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -144.42 177.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.112 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -119.75 165.57 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.855 -172.301 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.96 -27.85 26.22 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.077 -163.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -23.32 63.28 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.869 171.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.38 -19.47 16.98 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.365 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.095 -158.119 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.237 0.407 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -90.58 25.89 2.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.756 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 -57.85 2.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.071 175.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.1 p -97.2 -41.67 8.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.559 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.98 28.4 4.19 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.549 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 175.81 6.8 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.339 170.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.32 -24.83 12.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.646 -165.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -59.7 0.85 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -161.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -85.54 -179.97 7.01 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 122.495 -0.415 . . . . 0.0 110.395 -161.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -119.43 -177.13 3.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.49 168.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.418 ' H ' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.21 -28.23 68.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.245 -172.415 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -62.04 -23.61 66.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.476 -171.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.01 22.89 6.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.188 -172.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.452 -170.46 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.53 -20.13 61.4 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.379 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.46 -51.55 4.72 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.357 0.599 . . . . 0.0 109.917 -156.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -87.96 -24.59 23.52 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.572 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.67 -33.16 6.79 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 171.62 11.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.52 -168.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -119.65 141.65 49.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.433 -171.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.26 22.6 4.8 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.712 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -178.78 164.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 110.027 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 pt -102.11 166.89 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.716 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.2 -15.01 52.17 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 -165.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -31.74 71.53 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.489 174.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -111.49 26.69 10.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.57 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.752 -171.1 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.957 0.408 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -25.28 68.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.703 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -65.78 0.94 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.076 -170.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.1 p -93.01 -18.7 22.37 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.735 -165.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.32 24.2 66.39 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -100.25 174.46 6.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.237 168.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -120.03 105.39 10.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 -167.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.89 52.81 0.26 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 164.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -177.77 176.31 1.23 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.096 162.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.58 179.04 4.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 114.218 -1.355 . . . . 0.0 110.393 171.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.58 -27.18 69.01 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.507 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -16.56 51.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.468 -170.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.55 30.8 1.7 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.549 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.454 -0.23 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.313 172.262 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.01 -23.11 65.88 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.331 -177.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -100.31 -55.79 2.52 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.433 0.635 . . . . 0.0 110.058 -158.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -90.56 -30.31 17.32 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.648 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.43 -25.58 27.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 153.45 28.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.352 170.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -79.29 -159.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.338 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.17 5.49 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 169.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -153.39 165.57 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 110.416 -168.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.793 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -98.95 165.91 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.611 177.031 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.6 -26.95 29.56 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.226 -163.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.374 167.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -102.15 32.47 3.48 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.952 -176.695 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t . . . . . 0 C--O 1.235 0.313 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -30.06 68.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.123 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -70.05 0.45 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.929 -172.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.61 -14.88 34.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.834 -169.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 23.78 72.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.87 162.3 13.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.428 -0.386 . . . . 0.0 110.351 168.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -110.29 94.91 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.436 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.84 50.24 0.04 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 166.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 48' ' ' ASP . 2.3 p-80 -178.4 171.1 1.64 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 122.601 -0.352 . . . . 0.0 110.107 161.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.01 -175.08 2.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 113.403 -1.726 . . . . 0.0 110.136 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 tpt -61.19 -36.2 79.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.484 171.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -78.52 -25.68 45.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.582 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' A' ' 44' ' ' HIS . 16.2 m-20 -103.16 26.5 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.39 171.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.234 0.274 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.089 170.672 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtp . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 59.72 -178.01 0.09 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.249 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.24 133.51 1.41 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.389 -170.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.69 169.6 16.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -169.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.47 24.62 14.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.361 -0.42 . . . . 0.0 110.364 -169.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.7 p90 178.34 151.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.318 169.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -177.42 -33.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.385 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -62.0 87.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.333 -170.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.72 -78.86 0.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.379 -168.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 62.16 -83.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.802 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.58 93.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.326 -168.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -98.17 40.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.489 -165.106 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 13' ' ' ILE . 1.4 pp -86.63 58.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.324 -170.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.67 104.23 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.29 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.6 t -66.02 135.59 54.87 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.963 -174.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -20.96 62.59 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.596 -177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -100.7 -56.42 2.34 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.045 -160.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.83 -27.68 19.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.816 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.99 -29.71 10.72 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -69.07 154.23 42.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.879 -0.661 . . . . 0.0 110.426 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.63 149.33 23.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.423 -171.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.96 -30.35 3.08 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 170.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -128.91 162.18 28.14 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.907 -0.647 . . . . 0.0 110.473 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.488 HG22 HG12 ' A' ' 12' ' ' ILE . 36.4 pt -95.83 166.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.463 172.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.25 39.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.212 -162.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -59.92 -29.87 68.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.824 171.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.07 39.12 2.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.46 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 25.2 t -101.07 95.14 6.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.824 -172.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 67.87 2.35 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.467 153.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.651 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -59.82 141.81 88.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.078 -172.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -63.54 130.32 27.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 N-CA-C 109.914 -0.841 . . . . 0.0 109.914 -157.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 111.84 23.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.08 160.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 82.59 8.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.475 -162.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -151.26 119.63 6.4 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.207 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.23 -105.56 0.01 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.7 t -93.66 115.78 28.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.292 0.568 . . . . 0.0 110.353 167.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -85.18 -27.58 26.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.043 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.4 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.334 -169.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.8 p -109.6 -48.66 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.712 167.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 -23.17 2.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.17 169.14 12.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.337 -170.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -125.88 35.49 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.435 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.14 -24.12 35.6 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -151.78 -178.92 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.342 -168.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -130.31 153.34 48.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.424 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.438 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -61.81 -32.81 73.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -171.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -15.03 32.47 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.667 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.72 -25.88 9.27 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.448 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t -68.65 106.95 2.79 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.206 -164.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.14 28.48 6.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.83 158.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.72 -84.31 0.02 OUTLIER 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.834 -161.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -175.67 144.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.22 165.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -154.95 24.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.455 -171.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.47 -162.61 0.27 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.365 167.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 C--O 1.24 0.557 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.314 168.833 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ttp . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.253 0.549 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.96 128.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.378 -170.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 3' ' ' ARG . 5.5 mmm180 61.79 100.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.38 169.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.86 122.36 2.58 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 170.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 68.68 74.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.383 -0.409 . . . . 0.0 110.384 170.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.7 p90 179.51 179.96 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.356 169.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 61.69 179.58 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.432 169.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 69.33 84.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.342 -169.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -145.64 -43.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.364 -168.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 64.8 -66.86 0.13 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.473 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.2 102.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.447 169.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 13' ' ' ILE . 15.5 tt -164.92 -50.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.37 167.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.953 HD12 HG23 ' A' ' 24' ' ' ILE . 2.3 tp 58.22 60.86 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.783 166.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 141.16 36.42 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.5 169.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 t -104.17 123.7 47.77 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.781 -167.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -70.93 -20.23 62.49 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.772 -1.103 . . . . 0.0 111.39 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.405 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 5.6 t30 -93.07 -51.19 5.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.386 0.612 . . . . 0.0 109.918 -157.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.47 -33.7 15.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.543 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.08 -31.31 7.07 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -62.53 176.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.41 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.08 140.07 48.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.467 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 24.44 3.59 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' HA ' ' CG1' ' A' ' 13' ' ' ILE . 56.9 p-80 -173.91 167.59 4.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.239 0.542 . . . . 0.0 110.283 166.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.953 HG23 HD12 ' A' ' 13' ' ' ILE . 43.0 pt -100.99 167.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.589 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -85.32 -25.59 27.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.202 -165.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.09 69.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.515 169.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -105.87 31.29 5.15 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.677 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t -109.48 118.66 37.22 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.984 -171.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.29 33.0 1.63 Allowed 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.798 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.55 148.02 39.27 Favored Pre-proline 0 N--CA 1.469 0.49 0 CA-C-N 114.32 -1.309 . . . . 0.0 109.996 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.91 -120.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.433 0 N-CA-C 109.358 -1.055 . . . . 0.0 109.358 153.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.56 98.73 0.07 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.305 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 129.58 41.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.426 -166.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -138.66 -79.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.402 169.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.3 178.45 22.59 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.0 t -90.87 125.36 35.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.275 -169.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.21 36.47 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.765 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -80.47 -36.57 33.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.373 -164.589 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -107.7 -47.69 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.672 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.52 -24.29 3.93 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.05 174.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.445 . . . . 0.0 110.382 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -124.92 25.05 7.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.456 -171.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.37 -50.27 0.77 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -113.02 171.39 7.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.416 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HG2' ' HB2' ' A' ' 48' ' ' ASP . 3.2 pt20 -108.62 160.85 15.6 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.24 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG3' ' HB2' ' A' ' 38' ' ' LYS . 27.1 ttp -67.96 -33.41 74.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.44 -170.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -67.95 -24.02 65.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.456 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -82.92 -32.31 27.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.306 170.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 t -72.67 112.11 8.43 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.36 -162.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.55 38.73 3.07 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.777 158.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.66 -84.74 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.077 -162.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -167.38 152.86 7.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.31 163.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -86.44 -71.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.334 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.56 39.17 14.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.352 168.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--O 1.239 0.552 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.317 169.434 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 mmt . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.184 0.516 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 61.91 178.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.344 -171.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -113.83 100.47 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.389 -169.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 24.43 36.43 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 170.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.02 109.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.361 169.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -76.87 118.95 19.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.384 -169.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -150.87 174.02 13.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.383 169.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -133.11 145.77 51.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.343 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -170.59 141.22 1.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.424 169.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.9 174.3 6.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.318 -169.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.25 109.9 5.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.373 -169.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -157.21 101.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.427 -170.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 pt -59.73 93.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.026 -176.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.39 115.23 0.92 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.19 169.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.3 t -98.38 122.56 41.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.765 -162.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.21 -19.35 62.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.531 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -92.62 -50.86 5.39 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.912 -157.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.32 -35.97 14.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.558 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.86 25.72 24.16 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -101.91 177.07 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.399 171.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -111.93 138.13 48.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.443 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.97 24.75 3.82 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -173.9 174.4 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.225 0.535 . . . . 0.0 110.31 165.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.0 pt -111.28 167.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.655 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.61 30.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.136 -164.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -25.69 65.78 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.696 170.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -114.11 29.46 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.595 -172.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t -103.89 115.66 30.86 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.856 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -103.92 36.48 2.32 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.303 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.67 148.99 65.07 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.77 166.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.21 154.73 19.13 Favored 'Trans proline' 0 C--N 1.348 0.53 0 N-CA-C 109.376 -1.048 . . . . 0.0 109.376 153.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.22 144.3 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.578 165.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.28 -76.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.388 164.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.84 -176.01 0.31 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.169 171.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.07 -149.0 21.16 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 163.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t -117.98 121.56 40.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.263 -0.468 . . . . 0.0 110.318 -167.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -103.95 24.44 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.582 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -95.88 -64.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.002 165.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.47 -30.7 29.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.668 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.93 6.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 166.41 3.97 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.035 -0.582 . . . . 0.0 110.546 -176.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.51 76.91 1.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.436 -169.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.07 27.61 0.13 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.427 ' CE1' ' CG ' ' A' ' 51' ' ' GLU . 38.3 p-80 174.37 -174.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.277 -0.461 . . . . 0.0 110.222 172.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.39 155.54 24.01 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.447 178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 74.0 mtp -61.67 -47.09 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.515 -171.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -29.43 70.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.493 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.1 28.54 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.49 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.7 t -82.47 126.68 32.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.439 174.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.73 25.31 4.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.403 171.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' CG ' ' CE1' ' A' ' 44' ' ' HIS . 25.4 mm-40 -73.22 -25.41 60.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.392 -168.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.45 -167.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.373 170.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.17 -84.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.391 169.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.51 -168.8 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.373 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--O 1.24 0.587 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.276 169.631 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 121.186 0.517 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -117.1 28.27 8.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.39 -171.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -128.41 133.71 48.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.348 169.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.0 112.85 0.32 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -169.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 66.71 84.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.316 169.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.15 156.8 44.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.346 -169.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -78.91 138.64 38.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.379 169.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -81.13 176.46 9.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.327 -169.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.67 -84.51 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.414 -169.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.71 138.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.397 -169.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? 63.78 151.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.379 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG22 ' H ' ' A' ' 13' ' ' ILE . 8.6 mt -133.73 166.18 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.377 -170.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.606 HG21 ' CG2' ' A' ' 24' ' ' ILE . 21.1 tt -117.47 170.14 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.32 -167.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -111.12 156.07 21.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.54 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.5 t -96.99 130.76 44.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.603 -169.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.13 -20.76 60.86 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.038 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -96.22 -52.05 4.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.43 0.634 . . . . 0.0 109.984 -158.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -90.91 -30.83 16.66 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.595 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.77 -36.02 4.64 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.08 166.5 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.032 0.444 . . . . 0.0 110.307 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.93 128.44 54.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 -170.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.97 24.23 2.55 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -165.48 164.57 19.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 110.207 161.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.637 HD12 ' HG2' ' A' ' 26' ' ' LYS . 16.8 pt -106.03 162.89 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.717 0.77 . . . . 0.0 111.002 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 -15.81 57.25 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.104 -159.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.637 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -78.44 -23.17 46.72 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.017 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -105.04 26.97 8.62 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.65 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t -105.91 125.2 50.71 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.806 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -127.14 42.69 3.27 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.035 165.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.72 148.72 66.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.944 172.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.79 -143.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 109.507 -0.997 . . . . 0.0 109.507 154.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.58 81.29 0.21 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.155 -164.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -179.48 142.24 0.17 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.254 -165.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 178.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.407 168.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.82 -145.42 9.11 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -168.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t -112.52 120.19 40.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.331 -0.434 . . . . 0.0 110.412 171.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -29.32 52.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.871 177.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.72 -42.8 90.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.468 -167.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -111.17 -36.93 5.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.686 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.87 4.73 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.49 151.44 50.97 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 114.718 -0.741 . . . . 0.0 110.174 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -112.94 77.62 1.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.841 0.829 . . . . 0.0 110.488 -166.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.62 31.61 0.1 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 178.31 112.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.173 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -65.21 159.77 22.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.37 -171.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mtp -61.73 -24.69 66.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.495 -169.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -18.98 62.48 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.621 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.73 -25.58 13.48 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.449 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -83.29 123.26 29.44 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.293 -164.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.9 22.17 2.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.064 160.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.97 -157.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.457 -164.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 64.12 84.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.468 -171.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -165.18 69.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.399 -170.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -130.69 25.43 5.05 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.37 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.543 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.323 169.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.27 0.557 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -99.77 38.47 1.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.406 -171.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 3' ' ' ARG . 0.0 OUTLIER 63.94 99.69 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.436 -179.361 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.24 -69.6 0.48 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 171.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -92.01 -174.38 3.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.351 -0.424 . . . . 0.0 110.364 -170.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.483 ' CZ ' ' NH1' ' A' ' 7' ' ' ARG . 39.6 p90 -102.62 -24.98 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.467 170.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.483 ' NH1' ' CZ ' ' A' ' 6' ' ' PHE . 10.1 ptp85 -113.17 174.39 5.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.394 170.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -159.7 170.51 21.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.352 -169.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.94 166.54 3.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.395 -169.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 171.28 13.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.436 -169.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -119.11 24.95 10.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.383 -170.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.5 tt -128.73 123.67 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.163 166.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.891 ' CD1' HG23 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -108.84 108.58 25.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.314 -164.181 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.1 155.63 44.03 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.123 163.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t -103.8 129.92 51.29 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.843 -159.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -74.54 -22.16 59.16 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.039 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 3.8 t30 -94.55 -50.92 4.98 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.925 -156.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 33' ' ' LYS . 25.0 p -88.96 -23.16 22.73 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.621 169.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.35 -35.3 4.79 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -175.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 167.17 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.414 -168.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -106.33 141.45 37.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.349 -170.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.0 24.18 4.33 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -173.98 160.18 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.326 0.584 . . . . 0.0 110.391 167.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.891 HG23 ' CD1' ' A' ' 13' ' ' ILE . 47.9 pt -94.77 165.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.451 177.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -79.53 -25.82 41.64 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.232 -161.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.75 -28.8 67.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.781 169.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -107.57 30.52 6.2 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.451 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 t -92.51 115.46 28.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.896 -167.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -103.26 40.42 1.41 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.3 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.68 149.46 52.1 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.951 164.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -79.4 81.17 2.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 N-CA-C 109.393 -1.041 . . . . 0.0 109.393 154.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 60.96 -174.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.416 162.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 18' ' ' CYS . 3.6 tptp -175.5 -168.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.18 -168.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 85.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.475 -169.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.8 -130.57 3.15 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -131.65 125.52 32.36 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.806 -0.697 . . . . 0.0 110.507 176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -96.99 31.2 2.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.601 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -121.76 -62.7 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.922 176.275 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 54' ' ' ALA . 19.6 p -86.64 -17.55 33.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.646 176.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.77 30.84 61.1 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.845 ' HD2' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -130.45 174.94 9.39 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.869 -0.665 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -110.53 155.0 22.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.405 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.94 23.06 7.96 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 179.77 159.59 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.325 0.583 . . . . 0.0 110.283 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.54 155.89 18.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.414 -173.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 4.3 tmm? -71.68 -37.05 70.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.372 -166.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -18.31 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.332 169.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.67 -31.34 16.65 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.414 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 t -70.56 133.02 46.36 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.332 -164.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.9 32.83 0.44 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.404 165.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -140.43 91.52 2.44 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.512 -165.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.91 -165.73 0.21 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.551 161.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -97.78 44.19 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.348 168.104 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.845 ' HB3' ' HD2' ' A' ' 41' ' ' LYS . . . 61.59 163.67 0.08 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.333 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.241 0.642 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.297 -167.792 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 121.264 0.554 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.04 36.44 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.392 171.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -117.28 -67.7 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.395 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.33 -114.45 0.59 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -169.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 m120 66.25 143.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.398 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -95.11 -72.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.361 -169.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -149.55 174.32 12.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.367 169.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.63 -54.69 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.348 169.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.65 99.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.423 -169.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -168.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.322 168.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.7 146.89 47.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.377 -168.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.57 130.99 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.446 -167.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG12 ' CG2' ' A' ' 24' ' ' ILE . 0.6 OUTLIER -171.23 111.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.347 -170.39 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.01 109.8 16.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.402 -168.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 t -63.1 124.97 22.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.948 168.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -20.88 65.44 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.093 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -95.66 -54.7 3.27 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.46 0.647 . . . . 0.0 109.935 -157.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -89.73 -27.31 20.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.694 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -65.05 147.56 53.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.359 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.53 159.99 27.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.377 171.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.66 -51.79 0.8 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -118.83 -176.16 3.05 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.455 0.645 . . . . 0.0 110.429 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.416 ' CG2' HG12 ' A' ' 13' ' ' ILE . 49.2 pt -125.96 166.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.504 -178.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.1 42.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.299 -163.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -22.69 63.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.722 171.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.13 30.34 7.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.711 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t -107.64 123.13 48.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.878 -170.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 3.4 ttm105 -121.55 41.31 3.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.139 166.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.09 149.08 68.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.799 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -80.56 -151.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 109.379 -1.046 . . . . 0.0 109.379 152.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -106.58 81.41 1.58 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.366 169.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 29.88 3.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.333 -169.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.26 79.92 1.66 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.368 168.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -152.78 179.96 28.82 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -170.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 t -109.04 131.18 55.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.111 0.482 . . . . 0.0 110.442 170.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -31.5 54.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.061 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -64.09 -63.44 1.15 Allowed 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.839 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.2 p -100.13 -37.94 8.74 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.569 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.64 8.8 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -70.03 173.83 6.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.405 -168.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.59 107.51 9.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.359 -169.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 166.42 -60.64 0.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -169.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -104.55 165.08 11.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.347 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.53 170.64 7.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.382 169.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.68 -35.17 77.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.457 -167.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -22.12 66.67 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.5 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.68 24.9 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.444 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.1 t -74.34 128.77 36.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.372 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 50' ' ' THR . 18.1 m -124.36 25.69 7.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.497 171.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.65 26.36 10.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.395 -171.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -80.92 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.346 169.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.47 153.91 32.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.372 -168.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.99 -53.01 1.86 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.252 -169.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 . . . . . 0 C--O 1.24 0.581 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.354 169.3 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 121.213 0.53 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 61.83 73.81 0.46 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.475 -171.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 62.37 32.05 17.04 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.373 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.46 119.13 4.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -163.38 1.04 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.36 -170.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -79.7 175.72 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.365 169.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -29.43 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.37 -169.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -135.73 -81.5 0.41 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.312 -170.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 59.94 -172.47 0.12 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.249 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 64.87 125.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.317 -168.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.594 ' HB3' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -136.22 -174.07 3.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.415 -166.253 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.594 HD12 ' HB3' ' A' ' 11' ' ' LYS . 3.5 mp 60.44 31.77 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.098 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.577 HG23 ' O ' ' A' ' 11' ' ' LYS . 24.1 pt -107.92 169.47 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.35 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' HG13 ' A' ' 13' ' ' ILE . 6.7 ptpt 54.42 99.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.63 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.2 t -62.31 123.65 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.087 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.79 -22.01 62.41 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.946 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 4.0 t30 -92.27 -49.88 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.877 -156.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -89.99 -28.28 19.21 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 168.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.84 -31.96 8.09 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 164.41 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.397 -170.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 132.67 50.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.352 -171.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.37 25.04 2.77 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 167.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -171.09 176.03 4.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.302 164.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.538 HG21 HG23 ' A' ' 12' ' ' ILE . 1.3 pt -112.2 166.98 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.57 -174.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -83.25 -27.54 29.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.237 -164.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -27.96 67.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.613 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -108.08 29.17 7.55 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.637 -173.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 t -105.67 118.43 36.58 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.947 -168.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 33.53 1.71 Allowed 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.653 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.08 148.35 56.33 Favored Pre-proline 0 N--CA 1.469 0.484 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.113 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.08 155.54 22.82 Favored 'Trans proline' 0 C--N 1.348 0.552 0 N-CA-C 109.476 -1.009 . . . . 0.0 109.476 153.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.28 127.92 6.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.288 168.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -147.62 -174.44 4.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.387 -168.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -156.29 147.32 22.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.437 -168.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . -91.9 -168.56 40.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -171.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.8 t -130.22 118.88 22.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.333 -0.434 . . . . 0.0 110.415 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.59 31.2 2.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 5.8 tmtt? -115.59 -62.22 1.63 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.026 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 20.4 p -82.65 -33.53 27.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 114.546 -1.207 . . . . 0.0 110.648 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.42 -25.48 11.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 155.56 32.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.388 -170.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.32 25.19 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.396 -170.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.99 -57.37 0.77 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -170.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -112.65 177.47 4.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.311 0.577 . . . . 0.0 110.443 -169.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.44 164.51 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.484 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mtp -63.68 -42.27 98.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.429 -173.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -63.0 -28.63 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.586 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.56 28.03 8.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.416 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t -75.34 115.23 14.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.48 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.0 t -98.83 23.72 8.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.475 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -139.98 75.23 1.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.259 168.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.2 149.16 50.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.365 -167.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.54 98.69 2.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.352 -169.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.78 -72.22 0.38 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.236 -169.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--O 1.24 0.579 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.315 169.294 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 121.274 0.559 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.98 172.63 8.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.375 -171.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.44 28.07 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.533 -169.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.47 74.61 0.88 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.451 -1.059 . . . . 0.0 110.451 -175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.65 123.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.33 -169.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -147.53 -179.79 7.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.306 -168.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HG3' ' HB3' ' A' ' 6' ' ' PHE . 36.8 mtt-85 64.73 89.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.52 169.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB3' ' HD2' ' A' ' 10' ' ' ARG . 6.1 m-80 62.17 -177.47 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.475 169.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -179.47 -78.54 0.01 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.238 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HB2' HG13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER 65.87 152.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.514 166.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -96.44 -25.27 15.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.255 165.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG23 ' HD3' ' A' ' 14' ' ' LYS . 56.7 mt 64.65 71.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.515 166.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.635 HD12 ' HA2' ' A' ' 22' ' ' GLY . 10.0 pt -88.62 61.19 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.499 -172.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD3' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -118.94 124.57 47.39 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.32 175.264 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t -96.62 118.2 32.61 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.696 -166.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.08 -22.36 64.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.782 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.18 -49.95 5.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 -157.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -95.58 -27.16 15.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.74 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.8 -31.05 8.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -69.03 166.23 18.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.231 -0.484 . . . . 0.0 110.31 -171.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -108.03 138.98 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.388 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.635 ' HA2' HD12 ' A' ' 13' ' ' ILE . . . 116.54 24.7 3.66 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 169.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -170.24 163.69 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.264 0.555 . . . . 0.0 110.193 164.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -98.08 165.46 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.599 176.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.23 -23.95 28.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.253 -163.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -30.3 70.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 168.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.75 32.18 3.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.895 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.3 t -114.87 125.12 53.3 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.025 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.58 39.73 3.68 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.182 167.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.71 146.4 66.25 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.329 167.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -64.63 -67.51 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.077 0 N-CA-C 109.834 -0.872 . . . . 0.0 109.834 -162.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 64.43 27.99 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.401 -164.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -163.08 119.81 1.86 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.319 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.85 -174.43 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.342 -167.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.39 -157.0 9.69 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 -168.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.2 t -140.18 123.46 16.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.398 -0.401 . . . . 0.0 110.266 -167.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -102.62 29.18 5.46 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.483 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 2.2 tttt -110.72 -48.76 3.1 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.504 173.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.91 -37.95 8.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.597 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.34 -24.96 7.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 170.54 2.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.288 -0.456 . . . . 0.0 110.407 -169.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.03 126.58 51.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.377 168.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.12 -36.52 0.49 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.7 p-80 -145.59 171.1 15.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.389 -0.406 . . . . 0.0 110.373 -168.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -99.36 165.97 11.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.342 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 7.2 mtm -62.2 -48.63 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -61.24 -16.31 43.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.758 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.83 30.14 5.76 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.364 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 21.4 t -69.69 111.99 5.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.004 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.2 t -60.95 -15.55 32.6 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.737 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER 60.9 -67.94 0.05 OUTLIER 'General case' 0 C--O 1.24 0.577 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.267 176.234 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 58.46 170.14 0.06 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.227 -176.232 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 178.92 -34.96 0.01 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.259 -166.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.82 -82.69 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.424 171.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.24 0.605 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.333 170.383 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpp? . . . . . 0 N--CA 1.473 0.725 0 CA-C-O 121.168 0.508 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -146.96 162.39 38.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.355 -170.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.07 122.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.347 169.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.26 -163.44 30.73 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 167.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -172.97 120.06 0.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.391 -170.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -179.35 -74.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.306 167.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 63.91 171.6 0.17 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.37 168.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -172.21 151.64 2.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.372 169.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -149.85 167.1 27.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.399 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -151.37 -170.29 3.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.412 -169.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.44 -171.59 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.353 -169.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.782 HG23 ' H ' ' A' ' 13' ' ' ILE . 1.8 tt -109.69 -150.07 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.862 -167.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.782 ' H ' HG23 ' A' ' 12' ' ' ILE . 46.7 pt -86.95 175.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.357 0.598 . . . . 0.0 110.474 -163.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? 179.4 164.16 0.96 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.237 -170.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -62.78 116.24 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.957 167.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -71.09 -15.12 62.51 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.036 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.39 -50.25 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.227 0.537 . . . . 0.0 109.896 -158.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.53 -26.77 20.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.626 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.88 -28.28 9.52 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -64.61 153.28 39.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.374 -172.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -96.64 139.14 33.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.361 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.2 -62.8 0.52 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 169.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -94.32 179.28 5.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -115.31 168.28 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.639 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.58 -25.85 26.46 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.083 -166.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -22.4 61.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.958 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.91 30.78 6.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.515 -170.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 23.0 t -104.48 101.73 11.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.795 -171.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.79 49.97 1.19 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.165 167.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.598 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -59.05 159.34 14.32 Favored Pre-proline 0 CA--C 1.512 -0.483 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.533 -177.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HD2' ' HB1' ' A' ' 30' ' ' ALA . 28.8 Cg_endo -63.69 171.22 7.33 Favored 'Trans proline' 0 C--N 1.359 1.129 0 N-CA-C 110.192 -0.734 . . . . 0.0 110.192 -163.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -82.52 0.49 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.367 -165.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.98 -33.74 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.607 -173.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.61 139.3 57.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.569 -161.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.11 135.44 8.77 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 169.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.34 102.12 14.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.512 0.672 . . . . 0.0 110.35 166.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.437 ' HA ' ' HA2' ' A' ' 40' ' ' GLY . 19.3 t-105 -82.61 -9.23 59.48 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.226 176.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -61.22 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.815 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -79.9 -31.79 40.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.521 168.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 37' ' ' TRP . . . 101.01 26.15 8.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 172.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.84 174.64 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.335 -168.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.39 -174.89 2.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.329 167.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.62 -24.74 30.91 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -150.09 178.8 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.379 -0.41 . . . . 0.0 110.388 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.569 HE21 ' HG2' ' A' ' 46' ' ' MET . 55.1 tp60 -113.85 171.52 7.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.313 170.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.569 ' HG2' HE21 ' A' ' 45' ' ' GLN . 19.9 ptt? -62.01 -31.64 72.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.419 178.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -45.54 93.19 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.509 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.08 -26.14 62.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.469 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.67 116.75 12.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.49 -167.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -65.47 -26.95 68.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.527 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 57.67 -87.88 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.519 -166.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -79.63 -76.89 0.2 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.542 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 54' ' ' ALA . 17.1 pt20 -174.6 -51.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.368 -171.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 53' ' ' GLN . . . 61.53 92.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.352 -167.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 t30 . . . . . 0 C--O 1.241 0.612 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.291 170.389 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttp . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 121.213 0.53 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.95 161.08 30.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.364 -171.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -62.28 98.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.3 -170.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.31 44.02 1.23 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 169.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -61.76 109.56 1.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.145 0.498 . . . . 0.0 110.349 -168.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -117.35 -52.86 2.47 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.429 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.5 84.22 0.15 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.44 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.463 ' HB2' ' NH2' ' A' ' 10' ' ' ARG . 2.4 p30 -105.73 167.49 9.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.355 -169.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -171.74 116.47 0.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.378 169.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.463 ' NH2' ' HB2' ' A' ' 8' ' ' ASN . 3.6 mmp_? -71.6 -167.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.453 168.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HD3' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.81 -175.07 0.06 Allowed 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.557 -178.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.445 HD13 ' HE2' ' A' ' 16' ' ' PHE . 2.0 tt -160.7 166.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.473 173.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.9 tp -175.86 168.3 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.151 -163.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 53.95 167.67 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 123.001 0.52 . . . . 0.0 112.391 174.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t -61.52 123.68 18.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 113.856 -1.52 . . . . 0.0 109.895 -168.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' HE2' HD13 ' A' ' 12' ' ' ILE . 68.2 m-85 -69.65 -21.32 63.55 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.338 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.39 -50.16 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.889 -156.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 p -92.77 -39.38 11.27 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.497 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.05 3.8 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.558 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -120.33 148.05 44.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 114.949 -0.625 . . . . 0.0 110.367 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -101.37 128.47 47.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.555 170.126 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.5 -45.57 0.65 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -126.21 170.18 12.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.402 0.62 . . . . 0.0 110.389 174.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.705 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -106.96 167.66 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.775 178.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -87.85 -21.33 25.08 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.303 -165.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.49 -34.33 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.539 166.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' HB2' HG12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -81.48 -19.1 43.04 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.285 176.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 27.2 t -85.4 124.09 31.6 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.881 -159.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -121.02 46.82 1.94 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.142 166.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.67 134.94 88.17 Favored Pre-proline 0 N--CA 1.471 0.595 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.52 -171.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -65.89 -162.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.357 0.985 0 N-CA-C 109.599 -0.962 . . . . 0.0 109.599 -162.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -171.53 116.11 0.4 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.249 165.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 64.99 142.49 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.552 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.82 -176.52 0.46 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.333 168.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.08 -88.51 0.11 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -166.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t -61.19 124.97 22.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.161 -0.52 . . . . 0.0 110.268 163.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.72 -29.23 69.23 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.151 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -79.77 -68.17 0.69 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.049 -171.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.67 -20.5 18.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.643 -165.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.05 -30.12 10.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 160.34 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 114.948 -0.626 . . . . 0.0 110.474 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.21 142.79 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.387 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.19 23.97 4.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -168.72 179.25 4.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.352 -0.424 . . . . 0.0 110.185 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.05 -179.74 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.418 167.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.451 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.22 -41.19 98.17 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.724 -171.377 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -18.13 63.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.367 -171.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -122.52 30.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.518 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 t -99.02 121.85 41.5 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.472 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -24.03 65.36 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.527 174.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 57.77 173.49 0.05 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.424 167.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.08 115.47 0.04 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.212 -167.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -98.17 37.89 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.315 -166.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.66 138.68 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.203 167.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 C--O 1.241 0.632 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.27 -168.921 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 121.524 0.678 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -87.45 0.01 OUTLIER 'General case' 0 CA--C 1.523 -0.091 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.53 -171.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.85 -169.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.38 169.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -100.29 0.08 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 168.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 61.75 -172.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.397 -0.402 . . . . 0.0 110.362 168.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -149.89 113.27 4.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.343 169.513 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -174.78 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.392 169.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -124.37 115.02 20.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.414 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -158.81 137.11 10.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.369 -169.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -131.2 85.0 2.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.477 168.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -149.98 151.76 33.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.272 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 12' ' ' ILE . 3.5 mp -98.72 31.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.736 -167.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 pt -90.5 109.88 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.35 -170.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? 178.31 165.68 0.78 Allowed 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.303 -170.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 t -62.79 121.7 14.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.945 166.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -69.29 -18.86 63.89 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -93.68 -53.01 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.551 0.691 . . . . 0.0 109.94 -158.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -90.09 -39.59 12.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.445 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.72 -48.53 0.97 Allowed Glycine 0 CA--C 1.526 0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.546 -173.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 161.08 9.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.157 -0.521 . . . . 0.0 110.449 -168.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.74 49.6 1.61 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.397 -167.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.46 -23.91 6.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 174.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -150.15 171.06 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 -166.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.19 167.47 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.776 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.93 -21.29 23.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.324 -164.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -28.4 67.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.544 167.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -78.89 -18.84 53.23 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.302 173.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.549 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 23.2 t -89.37 106.57 18.54 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.91 -158.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.79 62.11 0.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 123.207 1.479 . . . . 0.0 109.799 157.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.549 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -60.16 131.14 89.69 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.63 175.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -64.91 158.6 50.43 Favored 'Trans proline' 0 N--CA 1.45 -1.069 0 N-CA-C 109.833 -0.872 . . . . 0.0 109.833 -160.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.8 138.93 0.09 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.992 166.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.6 -164.77 0.25 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.181 164.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.48 147.54 0.06 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.496 -167.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.55 -84.4 0.08 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -164.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.54 125.98 25.71 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.303 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.93 -30.47 70.23 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.884 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' NZ ' ' HG3' ' A' ' 51' ' ' GLU . 14.3 ttpp -84.19 -69.97 0.6 Allowed 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.089 -169.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -89.87 -30.35 17.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.773 -167.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.49 30.48 9.1 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.552 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.32 169.07 16.92 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.855 -0.672 . . . . 0.0 110.526 175.457 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.76 45.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.306 -166.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.65 73.78 0.03 OUTLIER Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 165.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 3.4 p-80 -163.35 -179.45 6.57 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 122.575 -0.367 . . . . 0.0 110.112 160.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -165.56 1.32 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.302 165.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.6 ttp -62.48 -36.59 82.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -64.38 -29.58 70.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.444 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -119.83 25.35 10.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.474 -176.344 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 3.9 t -69.31 150.03 47.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.181 169.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.6 m -58.2 -17.71 20.88 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.158 163.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HG3' ' NZ ' ' A' ' 38' ' ' LYS . 4.0 mm-40 -73.65 68.59 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.237 164.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 20.7 ttt180 -175.59 152.07 1.27 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.273 -173.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 52' ' ' ARG . 38.8 tp60 -175.97 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.45 167.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.47 -85.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.658 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.603 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.314 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.277 0.561 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -163.14 25.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.336 -171.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.23 123.68 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.339 169.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.91 -174.9 13.75 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 170.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -172.93 116.59 0.29 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.35 -169.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.56 100.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.329 168.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -165.27 176.18 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.299 168.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -131.76 164.1 26.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.365 -167.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -101.29 -165.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.334 168.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -130.43 -81.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.441 169.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.571 ' O ' HG21 ' A' ' 24' ' ' ILE . 5.8 tppt? 61.43 107.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.509 168.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -157.12 118.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.403 -174.078 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 13' ' ' ILE . 14.8 tt -176.56 56.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.461 171.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.12 172.95 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.889 -174.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t -110.36 121.01 44.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.148 -163.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.571 HG21 ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 20.4 t -90.89 119.18 30.88 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 49.22 1.21 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.109 166.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -62.93 147.1 94.67 Favored Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.628 -172.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -83.52 -176.03 2.57 Favored 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 109.742 -0.907 . . . . 0.0 109.742 159.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 179.95 77.44 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.136 160.512 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.66 166.47 2.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.593 -177.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 169.91 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.343 -169.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.53 -168.04 21.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 164.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.2 128.74 37.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 165.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HD2' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t -79.07 146.06 33.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.22 31.44 2.19 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.607 165.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 58.02 169.82 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.056 168.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' NE ' ' HD2' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -110.25 24.64 12.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 -166.23 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -102.8 24.61 10.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.4 -162.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.254 169.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.241 0.61 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 169.758 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.277 0.561 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -163.14 25.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.336 -171.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.23 123.68 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.339 169.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.91 -174.9 13.75 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 170.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -172.93 116.59 0.29 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.35 -169.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.56 100.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.329 168.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -165.27 176.18 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.299 168.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -131.76 164.1 26.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.365 -167.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -101.29 -165.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.334 168.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -130.43 -81.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.441 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.571 ' O ' HG21 ' A' ' 24' ' ' ILE . 5.8 tppt? 61.43 107.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.509 168.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -157.12 118.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.403 -174.078 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 13' ' ' ILE . 14.8 tt -176.56 56.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.461 171.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.12 172.95 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.889 -174.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t -110.36 121.01 44.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.148 -163.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.571 HG21 ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 20.4 t -90.89 119.18 30.88 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 49.22 1.21 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.109 166.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -62.93 147.1 94.67 Favored Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.628 -172.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -83.52 -176.03 2.57 Favored 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 109.742 -0.907 . . . . 0.0 109.742 159.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 179.95 77.44 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.136 160.512 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.66 166.47 2.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.593 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 169.91 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.343 -169.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.53 -168.04 21.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 164.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.2 128.74 37.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 165.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HD2' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t -79.07 146.06 33.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.22 31.44 2.19 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.607 165.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 58.02 169.82 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.056 168.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' NE ' ' HD2' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -110.25 24.64 12.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 -166.23 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -102.8 24.61 10.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.4 -162.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.254 169.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.241 0.61 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 169.758 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.218 0.532 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.97 -79.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.403 171.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.6 tpt85 -166.66 164.51 16.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.403 -169.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.68 -24.38 64.18 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 169.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t30 69.41 95.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.356 -170.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 70.71 126.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.295 168.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -62.02 97.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.249 168.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.61 -46.21 5.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.383 -168.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -86.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.39 171.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.41 158.49 44.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.352 -169.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HD3' HG22 ' A' ' 12' ' ' ILE . 1.0 OUTLIER 179.29 -168.82 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.31 -169.264 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.493 HG22 ' HD3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -61.82 107.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.339 167.714 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.533 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -61.62 110.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.37 -168.192 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.56 171.44 14.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.432 -166.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t -102.08 125.05 48.68 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.801 -165.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.67 -21.86 66.59 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.677 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -93.89 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.791 -160.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.45 -22.7 18.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.953 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.53 -21.39 39.16 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' CD ' ' HG2' ' A' ' 42' ' ' GLU . 10.0 mmtt -77.29 128.06 33.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.268 0.556 . . . . 0.0 110.381 -163.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -87.8 106.71 18.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.307 -171.199 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.51 -79.14 0.09 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -168.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -93.37 171.52 8.86 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 17.9 pt -100.57 161.23 3.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.393 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -58.98 -16.01 15.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.036 172.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.66 -50.18 70.29 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.583 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -97.64 30.63 2.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.521 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 23.2 t -104.34 120.56 41.47 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.752 -172.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 61.38 1.43 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.182 151.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -66.34 147.59 98.85 Favored Pre-proline 0 N--CA 1.473 0.679 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.313 -158.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HG2' ' CG ' ' A' ' 33' ' ' LYS . 56.4 Cg_endo -83.52 -136.38 0.02 OUTLIER 'Trans proline' 0 C--O 1.238 0.483 0 N-CA-C 108.582 -1.353 . . . . 0.0 108.582 150.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' CD ' ' N ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -131.49 101.51 5.55 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.704 156.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CG ' ' HG2' ' A' ' 31' ' ' PRO . 5.8 mmtp -119.44 -28.92 5.25 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.505 -160.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HD2' ' NE1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER 56.5 -175.78 0.06 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.662 -171.336 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' N ' ' HG3' ' A' ' 42' ' ' GLU . . . -138.82 -99.3 0.46 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 -165.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.98 110.84 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.479 -0.36 . . . . 0.0 110.215 167.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.462 ' NE1' ' HD2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.77 34.74 1.99 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.381 173.416 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -109.68 -36.21 6.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.521 169.354 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -116.23 -41.33 3.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.594 -176.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.27 -24.43 3.24 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.574 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HD3' ' CG ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -71.5 -178.77 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.142 0.496 . . . . 0.0 110.53 -170.077 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 10.7 mp0 -138.73 20.1 2.68 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.401 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.64 -24.24 21.44 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.509 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 48' ' ' ASP . 9.6 p-80 -147.08 -179.62 6.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.42 -0.39 . . . . 0.0 110.221 -168.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -168.29 1.41 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 114.309 -1.314 . . . . 0.0 110.084 169.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.459 ' H ' ' HG3' ' A' ' 46' ' ' MET . 2.1 ppp? -60.64 -24.73 65.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.301 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -51.71 66.79 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.461 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 38.7 t70 -98.8 30.9 3.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.439 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 t -80.86 146.18 30.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.137 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.501 ' O ' HG22 ' A' ' 50' ' ' THR . 14.4 m -95.99 33.32 1.72 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.565 165.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HG3' ' HB3' ' A' ' 38' ' ' LYS . 1.5 tt0 -61.45 -168.86 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.282 -1.326 . . . . 0.0 110.451 174.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 52' ' ' ARG . 2.2 mtp-105 -158.57 33.26 0.23 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.443 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -98.58 147.96 24.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.361 168.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.79 122.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.257 -169.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 t30 . . . . . 0 C--O 1.24 0.574 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.291 169.368 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ttt . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.255 0.55 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 65.36 69.61 0.47 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.398 170.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 -117.15 102.12 9.03 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.432 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 -46.36 0.19 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -169.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -108.63 -78.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.365 -0.418 . . . . 0.0 110.312 -169.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -62.53 102.98 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.385 -168.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 29.54 2.7 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.396 175.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -123.28 101.32 7.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.35 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.23 26.4 5.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.438 168.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -66.24 -80.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.39 -171.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? 61.81 -169.65 0.17 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.34 -168.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 tt -175.79 65.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.615 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 13' ' ' ILE . 1.4 pp -88.04 58.96 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.326 -171.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.69 144.26 0.13 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.414 -175.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 t -103.46 130.62 50.85 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.691 -168.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -62.89 -22.96 67.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.485 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.9 -58.37 1.89 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.151 -157.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -87.91 -30.67 19.93 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.663 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.18 -33.97 5.81 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.522 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.7 151.3 34.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.094 0.473 . . . . 0.0 110.388 -167.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.85 127.61 42.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.504 171.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.13 -43.85 0.49 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -129.04 164.39 23.35 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.476 0.655 . . . . 0.0 110.481 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.772 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -99.51 164.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.471 173.61 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.09 -16.94 51.72 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.491 -161.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -23.52 62.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.918 171.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.34 29.96 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.435 -169.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 27.9 t -93.32 97.06 10.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.753 -169.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.29 66.19 1.28 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.586 154.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.63 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -61.91 132.4 93.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.348 -171.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -63.99 171.3 7.63 Favored 'Trans proline' 0 C--N 1.358 1.065 0 N-CA-C 110.075 -0.779 . . . . 0.0 110.075 -157.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -119.89 109.57 15.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.273 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 88.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.349 -168.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.62 162.42 30.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.435 -177.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.71 -135.04 7.41 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 170.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.6 t -97.43 127.69 43.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.518 0.675 . . . . 0.0 110.335 169.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -81.2 -24.97 37.1 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.828 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.67 -47.48 13.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.506 -166.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -95.78 -25.93 15.87 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.585 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.51 -24.2 30.67 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -77.55 142.66 38.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.359 -0.421 . . . . 0.0 110.393 -169.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -99.73 98.62 9.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.422 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -172.7 -65.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -170.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -109.68 170.71 7.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.371 0.605 . . . . 0.0 110.435 -171.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -114.23 160.9 18.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.405 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.85 -30.41 70.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.354 -171.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -17.63 55.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.505 175.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -107.62 -30.16 8.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.459 174.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t -64.12 121.62 14.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.422 -174.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -133.91 27.24 3.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.455 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.51 20.54 6.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.385 167.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 61.35 106.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.446 -169.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.6 -45.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.442 171.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.58 97.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.38 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 C--O 1.24 0.572 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.367 169.374 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 121.22 0.533 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 69.02 -72.29 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.42 -171.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -88.69 120.83 30.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.336 169.232 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.98 -82.03 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 169.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -66.86 127.02 30.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.351 -0.425 . . . . 0.0 110.313 169.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.0 -174.82 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.321 169.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.3 138.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.369 169.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -170.91 120.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.379 169.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 67.64 158.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.406 -170.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' CD ' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -169.03 29.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.424 -170.364 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -114.43 -69.58 0.85 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.485 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -87.23 161.93 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.478 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.73 HD12 HG21 ' A' ' 24' ' ' ILE . 14.5 pt -93.13 70.61 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.567 -161.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 173.02 1.1 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.048 162.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t -93.27 121.33 34.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.793 -162.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -71.34 -19.4 62.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.555 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -92.12 -51.27 5.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.479 0.656 . . . . 0.0 109.943 -157.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -31.36 16.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.725 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.61 -23.81 16.78 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 159.59 12.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 -168.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.51 95.86 5.47 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.513 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.96 -63.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -171.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -108.82 -177.27 3.27 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.877 -0.661 . . . . 0.0 110.341 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.73 HG21 HD12 ' A' ' 13' ' ' ILE . 32.8 pt -115.6 169.68 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.655 -175.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.87 -21.21 25.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.065 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -22.76 62.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 170.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -123.78 29.61 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.549 -169.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 22.8 t -103.89 97.1 7.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.798 -168.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 0.9 OUTLIER -97.18 65.11 1.98 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.535 1.159 . . . . 0.0 109.817 157.239 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -64.71 138.82 97.58 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.767 -176.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.61 -170.36 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 N-CA-C 109.815 -0.879 . . . . 0.0 109.815 -160.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.94 72.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.477 166.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 79.65 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.046 174.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -175.36 143.02 0.63 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.431 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.88 -127.8 3.0 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 164.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 t -103.54 109.93 21.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.372 -0.414 . . . . 0.0 110.184 164.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -95.17 19.69 10.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.231 -176.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 -70.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.066 166.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.9 p -73.73 -42.4 61.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.504 -175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.49 30.98 3.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -122.83 172.69 8.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.01 96.19 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.408 -169.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.48 49.52 0.03 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 166.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 179.37 -179.9 0.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.151 167.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.16 176.7 7.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.419 169.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.64 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.503 -168.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -20.03 63.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.45 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.94 -25.87 13.63 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.499 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.45 117.25 7.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.422 -168.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.06 22.93 4.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.339 168.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 58.55 -87.96 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.395 -169.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.94 163.65 37.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.378 170.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -132.18 -176.56 4.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.365 -169.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.52 -175.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.341 169.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--O 1.24 0.566 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.367 169.436 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 mtt . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 121.205 0.526 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 61.85 -166.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.321 170.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 65.52 -78.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.535 171.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.02 -167.17 17.16 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -162.94 -174.98 4.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.323 -0.439 . . . . 0.0 110.366 -169.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.84 -80.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.348 169.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 61.58 86.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.465 168.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -111.03 133.85 53.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.346 -170.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.03 161.66 22.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.332 169.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -144.55 100.63 3.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.371 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 138.06 41.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.275 167.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -127.31 54.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.972 -164.697 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -89.47 150.1 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.382 -174.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -116.73 126.44 53.14 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.278 -166.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t -62.32 135.44 57.46 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.713 163.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -26.76 68.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.025 -1.443 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -99.1 -58.47 1.93 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.867 -159.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -90.54 -27.56 19.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.992 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.78 -29.9 10.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.1 158.92 15.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.875 -0.663 . . . . 0.0 110.364 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -90.78 144.28 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.275 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.38 25.16 6.78 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 160.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -166.56 155.34 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.51 . . . . 0.0 110.341 159.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.1 pt -93.05 166.52 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.128 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.45 -23.3 46.63 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.082 -162.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -59.7 -29.26 67.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.654 168.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -112.95 34.2 4.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.495 -172.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 30.6 t -92.68 97.58 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.755 -170.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.52 68.56 1.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.308 151.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -59.45 145.0 83.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.104 -167.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -62.78 167.94 11.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 N-CA-C 110.124 -0.76 . . . . 0.0 110.124 -155.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -123.43 -163.79 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.072 168.689 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -97.03 25.67 5.23 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.8 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -142.8 114.53 8.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.251 164.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.03 -167.08 15.28 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 168.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t -70.12 129.23 38.85 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.323 -0.438 . . . . 0.0 110.334 170.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -63.37 -30.28 71.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.943 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -81.22 -68.8 0.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.065 -171.214 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.62 -25.83 17.34 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.793 -168.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.94 24.13 58.38 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 174.89 6.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.222 167.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -118.2 100.68 7.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.331 -169.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.62 49.27 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 165.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -178.83 -176.72 0.47 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.404 -0.398 . . . . 0.0 110.164 164.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -128.79 170.99 12.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.443 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.72 -35.04 76.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.445 -170.324 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.76 -16.74 52.11 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.614 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.9 35.04 1.25 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.4 t -61.73 115.68 4.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.356 165.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.9 t -97.95 28.8 3.74 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.438 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -23.15 64.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.439 166.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.94 -166.53 1.74 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.282 167.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 69.83 -165.96 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.399 168.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.78 159.76 0.06 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.349 -166.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--O 1.24 0.555 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.277 -168.196 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 mtm . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.408 0.623 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 69.42 -65.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.411 -171.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 64.5 114.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.329 -169.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.99 136.02 3.81 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 169.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -173.11 84.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.369 -0.415 . . . . 0.0 110.279 -170.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.48 133.0 44.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.266 -166.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.719 ' NH2' HD12 ' A' ' 13' ' ' ILE . 8.0 mtp180 -136.31 -81.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.251 166.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 t30 61.33 82.47 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.495 166.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' HG2' ' HB ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -179.5 174.9 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.339 173.864 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -147.0 30.3 0.96 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.496 167.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.639 ' O ' HD13 ' A' ' 12' ' ' ILE . 21.7 mttp -163.49 22.13 0.08 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.626 172.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 11' ' ' LYS . 9.5 mm -138.5 172.74 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.182 167.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.719 HD12 ' NH2' ' A' ' 7' ' ' ARG . 4.2 tp -160.46 84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.483 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 176.11 9.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.302 167.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.3 t -100.34 126.27 46.67 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.666 -165.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -21.63 62.08 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.276 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -91.72 -49.81 6.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.303 0.573 . . . . 0.0 109.92 -156.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.32 -37.9 9.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.833 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.51 -32.09 4.61 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.546 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -61.11 175.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.245 -0.478 . . . . 0.0 110.534 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -115.52 -24.29 8.4 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.433 -165.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.3 -22.92 61.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -166.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -144.42 177.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.112 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.52 HG22 HG13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.75 165.57 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.855 -172.301 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.96 -27.85 26.22 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.077 -163.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -23.32 63.28 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.869 171.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.38 -19.47 16.98 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.365 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 21.1 t -87.05 119.0 26.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.095 -158.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.34 45.04 1.05 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.121 169.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -57.38 138.5 80.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.364 171.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -65.58 113.75 2.63 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 N-CA-C 109.652 -0.942 . . . . 0.0 109.652 -163.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.17 74.58 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.288 162.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -91.95 -25.27 18.96 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.35 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' NE ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -97.74 131.29 44.4 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.205 -163.603 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.44 -27.21 13.56 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 160.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -97.67 122.89 41.28 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.33 -0.435 . . . . 0.0 109.981 161.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -90.58 25.89 2.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.756 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 -57.85 2.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.071 175.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' HB3' ' HG3' ' A' ' 51' ' ' GLU . 22.1 p -97.2 -41.67 8.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.559 -175.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA3' ' NE ' ' A' ' 34' ' ' ARG . . . 109.98 28.4 4.19 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.549 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 175.81 6.8 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.339 170.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.32 -24.83 12.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.646 -165.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -59.7 0.85 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -161.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -85.54 -179.97 7.01 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 122.495 -0.415 . . . . 0.0 110.395 -161.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -119.43 -177.13 3.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.49 168.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.418 ' H ' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.21 -28.23 68.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.245 -172.415 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -62.04 -23.61 66.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.476 -171.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.01 22.89 6.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.188 -172.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.98 127.35 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.452 -170.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.2 p -59.61 -18.55 42.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.117 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 39' ' ' CYS . 13.0 mt-10 -94.46 46.44 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.424 168.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -88.45 85.57 6.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.392 168.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.32 70.85 1.27 Allowed 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.429 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.53 177.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.331 -169.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--O 1.239 0.551 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.373 -170.11 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtm . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 121.134 0.492 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -121.97 119.79 32.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.362 -170.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 61.73 30.07 18.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.398 -171.548 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.86 125.91 3.61 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.431 -1.067 . . . . 0.0 110.431 169.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -65.47 -167.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.386 -0.407 . . . . 0.0 110.391 170.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -68.86 82.18 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.345 -169.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -146.65 -176.39 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.374 -169.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 69.66 141.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.409 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.96 -167.02 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.371 169.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.72 -175.13 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.325 -169.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.42 110.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.496 -168.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.24 -52.14 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.893 -172.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -158.1 119.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.386 -167.726 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.3 168.72 25.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.448 168.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t -62.74 125.8 25.19 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.988 171.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.53 -20.13 61.4 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.379 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.46 -51.55 4.72 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.357 0.599 . . . . 0.0 109.917 -156.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -87.96 -24.59 23.52 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.572 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.67 -33.16 6.79 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 171.62 11.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.52 -168.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' HB3' ' A' ' 3' ' ' ARG . 4.8 pt-20 -119.65 141.65 49.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.433 -171.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.26 22.6 4.8 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.712 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -178.78 164.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 110.027 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 pt -102.11 166.89 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.716 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.2 -15.01 52.17 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 -165.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -31.74 71.53 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.489 174.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -111.49 26.69 10.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.57 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 23.8 t -102.5 90.96 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.752 -171.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 64.9 4.96 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.379 1.085 . . . . 0.0 109.774 158.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -65.36 141.75 98.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.8 -174.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -63.76 166.72 15.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 N-CA-C 110.12 -0.761 . . . . 0.0 110.12 -158.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -135.07 -174.84 3.72 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.371 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.03 -177.98 4.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.433 -171.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.22 -166.68 1.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.275 -168.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.56 -93.52 0.12 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.4 t -61.6 117.83 6.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.254 -0.473 . . . . 0.0 110.31 169.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -25.28 68.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.703 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -65.78 0.94 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.076 -170.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.1 p -93.01 -18.7 22.37 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.735 -165.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.32 24.2 66.39 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -100.25 174.46 6.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.237 168.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -120.03 105.39 10.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 -167.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.89 52.81 0.26 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 164.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -177.77 176.31 1.23 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.096 162.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.58 179.04 4.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 114.218 -1.355 . . . . 0.0 110.393 171.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.58 -27.18 69.01 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.507 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -16.56 51.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.468 -170.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.55 30.8 1.7 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.549 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -98.52 126.22 44.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.313 172.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 50' ' ' THR . 24.7 m -139.57 22.62 2.51 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.646 165.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 57.27 20.3 5.67 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.395 168.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.75 -171.57 2.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.406 -166.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.13 24.25 12.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.37 -169.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -136.36 32.26 2.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.26 169.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.241 0.61 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.328 169.412 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 mmt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.401 0.62 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.96 38.8 0.26 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.421 172.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.54 -176.48 4.35 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.461 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.23 89.16 2.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -169.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -166.35 164.39 17.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.355 -0.423 . . . . 0.0 110.332 -169.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.86 106.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.315 169.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.43 98.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.447 169.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -170.11 -45.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.353 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 69.03 -172.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.386 169.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.92 -177.22 3.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.349 -169.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -65.14 103.2 0.73 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.383 -169.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.933 HG23 HG23 ' A' ' 13' ' ' ILE . 11.7 tt -157.57 -44.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.454 169.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.933 HG23 HG23 ' A' ' 12' ' ' ILE . 2.0 pp -92.9 121.43 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.41 -166.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 179.02 108.45 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.507 178.178 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t -62.4 133.7 55.41 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.779 161.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -67.01 -23.11 65.88 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.331 -177.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -100.31 -55.79 2.52 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.433 0.635 . . . . 0.0 110.058 -158.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -90.56 -30.31 17.32 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.648 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.43 -25.58 27.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 153.45 28.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.352 170.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -79.29 -159.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.338 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.17 5.49 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 169.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -153.39 165.57 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 110.416 -168.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.793 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -98.95 165.91 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.611 177.031 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.6 -26.95 29.56 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.226 -163.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.374 167.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -102.15 32.47 3.48 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 t -111.45 124.2 51.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.952 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -122.35 43.2 2.95 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.022 164.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.37 139.09 84.93 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 114.647 -1.161 . . . . 0.0 111.196 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -65.79 108.15 1.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 -164.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -35.93 6.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.325 165.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.85 124.08 30.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.43 169.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.43 -177.49 3.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.369 -170.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.43 -155.9 7.45 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -168.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t -120.99 128.73 52.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.167 -167.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -30.06 68.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.123 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -70.05 0.45 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.929 -172.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.61 -14.88 34.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.834 -169.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 23.78 72.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.87 162.3 13.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.428 -0.386 . . . . 0.0 110.351 168.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -110.29 94.91 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.436 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.84 50.24 0.04 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 166.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 48' ' ' ASP . 2.3 p-80 -178.4 171.1 1.64 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 122.601 -0.352 . . . . 0.0 110.107 161.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.01 -175.08 2.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 113.403 -1.726 . . . . 0.0 110.136 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 tpt -61.19 -36.2 79.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.484 171.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -78.52 -25.68 45.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.582 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' A' ' 44' ' ' HIS . 16.2 m-20 -103.16 26.5 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.39 171.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t -80.41 151.27 29.45 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.089 170.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.1 t -58.65 -19.07 35.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.05 162.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 57.25 -159.29 0.25 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.171 162.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -137.96 104.17 5.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.302 165.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.5 -177.41 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.357 -168.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.3 -47.03 0.99 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.216 -169.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--O 1.24 0.557 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.73 -178.768 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.237 0.404 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -20.96 62.59 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.596 -177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -100.7 -56.42 2.34 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.045 -160.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.83 -27.68 19.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.816 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.99 -29.71 10.72 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -69.07 154.23 42.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.879 -0.661 . . . . 0.0 110.426 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.63 149.33 23.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.423 -171.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.96 -30.35 3.08 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 170.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -128.91 162.18 28.14 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.907 -0.647 . . . . 0.0 110.473 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.4 pt -95.83 166.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.463 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.25 39.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.212 -162.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -59.92 -29.87 68.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.824 171.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.07 39.12 2.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.46 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.2 t . . . . . 0 C--O 1.234 0.268 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.824 -172.733 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.292 0.568 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -85.18 -27.58 26.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.043 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.4 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.334 -169.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.8 p -109.6 -48.66 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.712 167.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 -23.17 2.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.17 169.14 12.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.337 -170.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -125.88 35.49 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.435 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.14 -24.12 35.6 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -151.78 -178.92 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.342 -168.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -130.31 153.34 48.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.424 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.438 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -61.81 -32.81 73.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -171.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -15.03 32.47 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.667 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.72 -25.88 9.27 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.448 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.235 0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.206 -164.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -70.93 -20.23 62.49 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.772 -1.103 . . . . 0.0 111.39 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.405 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 5.6 t30 -93.07 -51.19 5.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.386 0.612 . . . . 0.0 109.918 -157.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.47 -33.7 15.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.543 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.08 -31.31 7.07 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -62.53 176.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.41 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.08 140.07 48.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.467 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 24.44 3.59 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -173.91 167.59 4.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.239 0.542 . . . . 0.0 110.283 166.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.0 pt -100.99 167.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.589 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -85.32 -25.59 27.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.202 -165.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.09 69.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.515 169.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -105.87 31.29 5.15 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.677 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t . . . . . 0 N--CA 1.466 0.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.984 -171.785 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.233 0.199 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.21 36.47 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.765 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -80.47 -36.57 33.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.373 -164.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -107.7 -47.69 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.672 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.52 -24.29 3.93 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.05 174.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.445 . . . . 0.0 110.382 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -124.92 25.05 7.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.456 -171.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.37 -50.27 0.77 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -113.02 171.39 7.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.416 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HG2' ' HB2' ' A' ' 48' ' ' ASP . 3.2 pt20 -108.62 160.85 15.6 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.24 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG3' ' HB2' ' A' ' 38' ' ' LYS . 27.1 ttp -67.96 -33.41 74.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.44 -170.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -67.95 -24.02 65.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.456 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.416 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -82.92 -32.31 27.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.306 170.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.235 0.302 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.36 -162.156 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.21 -19.35 62.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.531 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -92.62 -50.86 5.39 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.912 -157.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.32 -35.97 14.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.558 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.86 25.72 24.16 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -101.91 177.07 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.399 171.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -111.93 138.13 48.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.443 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.97 24.75 3.82 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -173.9 174.4 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.225 0.535 . . . . 0.0 110.31 165.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.0 pt -111.28 167.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.655 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.61 30.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.136 -164.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -25.69 65.78 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.696 170.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -114.11 29.46 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.595 -172.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.856 -170.185 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.901 0.381 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -103.95 24.44 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.582 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -95.88 -64.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.002 165.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.47 -30.7 29.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.668 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.93 6.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 166.41 3.97 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.035 -0.582 . . . . 0.0 110.546 -176.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.51 76.91 1.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.436 -169.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.07 27.61 0.13 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 174.37 -174.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.277 -0.461 . . . . 0.0 110.222 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.39 155.54 24.01 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.447 178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 74.0 mtp -61.67 -47.09 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.515 -171.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -29.43 70.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.493 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.1 28.54 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.49 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.454 -0.226 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.439 174.165 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.13 -20.76 60.86 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.038 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -96.22 -52.05 4.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.43 0.634 . . . . 0.0 109.984 -158.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -90.91 -30.83 16.66 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.595 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.77 -36.02 4.64 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.08 166.5 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.032 0.444 . . . . 0.0 110.307 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.93 128.44 54.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 -170.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.97 24.23 2.55 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -165.48 164.57 19.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 110.207 161.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.637 HD12 ' HG2' ' A' ' 26' ' ' LYS . 16.8 pt -106.03 162.89 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.717 0.77 . . . . 0.0 111.002 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 -15.81 57.25 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.104 -159.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.637 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -78.44 -23.17 46.72 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.017 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -105.04 26.97 8.62 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.65 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.806 -179.603 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.763 0.316 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -29.32 52.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.871 177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.72 -42.8 90.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.468 -167.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -111.17 -36.93 5.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.686 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.87 4.73 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.49 151.44 50.97 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 114.718 -0.741 . . . . 0.0 110.174 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -112.94 77.62 1.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.841 0.829 . . . . 0.0 110.488 -166.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.62 31.61 0.1 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 178.31 112.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.173 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -65.21 159.77 22.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.37 -171.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mtp -61.73 -24.69 66.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.495 -169.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -18.98 62.48 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.621 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.73 -25.58 13.48 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.449 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.235 0.312 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.293 -164.285 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -74.54 -22.16 59.16 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.039 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 3.8 t30 -94.55 -50.92 4.98 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.925 -156.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -88.96 -23.16 22.73 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.621 169.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.35 -35.3 4.79 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 167.17 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.414 -168.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -106.33 141.45 37.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.349 -170.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.0 24.18 4.33 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -173.98 160.18 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.326 0.584 . . . . 0.0 110.391 167.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.9 pt -94.77 165.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.451 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -79.53 -25.82 41.64 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.232 -161.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.75 -28.8 67.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.781 169.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -107.57 30.52 6.2 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.451 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.896 -167.346 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.554 0.216 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -96.99 31.2 2.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.601 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -121.76 -62.7 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.922 176.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -86.64 -17.55 33.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.646 176.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.77 30.84 61.1 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 174.94 9.39 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.869 -0.665 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -110.53 155.0 22.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.405 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.94 23.06 7.96 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 179.77 159.59 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.325 0.583 . . . . 0.0 110.283 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.54 155.89 18.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.414 -173.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 4.3 tmm? -71.68 -37.05 70.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.372 -166.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -18.31 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.332 169.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.67 -31.34 16.65 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.414 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.233 0.231 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.332 -164.46 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.234 0.266 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -20.88 65.44 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.093 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -95.66 -54.7 3.27 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.46 0.647 . . . . 0.0 109.935 -157.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -89.73 -27.31 20.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.694 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -65.05 147.56 53.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.359 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.53 159.99 27.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.377 171.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.66 -51.79 0.8 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -118.83 -176.16 3.05 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.455 0.645 . . . . 0.0 110.429 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.2 pt -125.96 166.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.504 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.1 42.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.299 -163.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -22.69 63.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.722 171.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.13 30.34 7.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.711 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.467 0.38 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.878 -170.463 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 121.111 0.482 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -31.5 54.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.061 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -64.09 -63.44 1.15 Allowed 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.839 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.2 p -100.13 -37.94 8.74 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.569 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.64 8.8 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -70.03 173.83 6.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.405 -168.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.59 107.51 9.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.359 -169.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 166.42 -60.64 0.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -169.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -104.55 165.08 11.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.347 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.53 170.64 7.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.382 169.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.68 -35.17 77.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.457 -167.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -22.12 66.67 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.5 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.68 24.9 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.444 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.372 169.697 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.2 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.344 0.592 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.79 -22.01 62.41 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.946 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 4.0 t30 -92.27 -49.88 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.877 -156.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -89.99 -28.28 19.21 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 168.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.84 -31.96 8.09 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 164.41 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.397 -170.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 132.67 50.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.352 -171.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.37 25.04 2.77 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 167.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -171.09 176.03 4.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.302 164.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -112.2 166.98 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.57 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -83.25 -27.54 29.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.237 -164.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -27.96 67.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.613 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -108.08 29.17 7.55 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.637 -173.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.466 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.947 -168.235 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.72 0.295 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.59 31.2 2.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 5.8 tmtt? -115.59 -62.22 1.63 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.026 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 20.4 p -82.65 -33.53 27.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 114.546 -1.207 . . . . 0.0 110.648 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.42 -25.48 11.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 155.56 32.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.388 -170.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.32 25.19 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.396 -170.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.99 -57.37 0.77 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -170.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -112.65 177.47 4.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.311 0.577 . . . . 0.0 110.443 -169.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.44 164.51 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.484 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mtp -63.68 -42.27 98.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.429 -173.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -63.0 -28.63 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.586 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.56 28.03 8.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.416 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.48 175.028 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 121.536 0.684 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.08 -22.36 64.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.782 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.18 -49.95 5.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 -157.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -95.58 -27.16 15.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.74 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.8 -31.05 8.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -69.03 166.23 18.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.231 -0.484 . . . . 0.0 110.31 -171.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -108.03 138.98 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.388 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.54 24.7 3.66 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 169.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -170.24 163.69 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.264 0.555 . . . . 0.0 110.193 164.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -98.08 165.46 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.599 176.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.23 -23.95 28.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.253 -163.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -30.3 70.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 168.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.75 32.18 3.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.895 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.466 0.347 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.025 -175.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.699 0.285 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -102.62 29.18 5.46 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.483 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 2.2 tttt -110.72 -48.76 3.1 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.504 173.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.91 -37.95 8.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.597 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.34 -24.96 7.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 170.54 2.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.288 -0.456 . . . . 0.0 110.407 -169.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.03 126.58 51.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.377 168.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.12 -36.52 0.49 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.7 p-80 -145.59 171.1 15.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.389 -0.406 . . . . 0.0 110.373 -168.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -99.36 165.97 11.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.342 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 7.2 mtm -62.2 -48.63 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -61.24 -16.31 43.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.758 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.83 30.14 5.76 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.364 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 21.4 t . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.004 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -71.09 -15.12 62.51 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.036 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.39 -50.25 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.227 0.537 . . . . 0.0 109.896 -158.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.53 -26.77 20.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.626 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.88 -28.28 9.52 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -64.61 153.28 39.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.374 -172.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -96.64 139.14 33.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.361 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.2 -62.8 0.52 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 169.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -94.32 179.28 5.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -115.31 168.28 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.639 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.58 -25.85 26.46 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.083 -166.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -22.4 61.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.958 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.91 30.78 6.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.515 -170.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.466 0.336 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.795 -171.291 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.3 t . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.512 0.672 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.437 ' HA ' ' HA2' ' A' ' 40' ' ' GLY . 19.3 t-105 -82.61 -9.23 59.48 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.226 176.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -61.22 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.815 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -79.9 -31.79 40.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.521 168.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 37' ' ' TRP . . . 101.01 26.15 8.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 172.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.84 174.64 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.335 -168.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.39 -174.89 2.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.329 167.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.62 -24.74 30.91 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -150.09 178.8 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.379 -0.41 . . . . 0.0 110.388 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' HG3' ' H ' ' A' ' 46' ' ' MET . 10.7 tp-100 -113.85 171.52 7.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.313 170.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.459 ' H ' ' HG3' ' A' ' 45' ' ' GLN . 19.9 ptt? -62.01 -31.64 72.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.419 178.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -45.54 93.19 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.509 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.08 -26.14 62.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.469 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.49 -167.598 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t . . . . . 0 C--O 1.233 0.214 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -69.65 -21.32 63.55 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.338 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.39 -50.16 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.889 -156.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 p -92.77 -39.38 11.27 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.497 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.05 3.8 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.558 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -120.33 148.05 44.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 114.949 -0.625 . . . . 0.0 110.367 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.37 128.47 47.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.555 170.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.5 -45.57 0.65 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -126.21 170.18 12.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.402 0.62 . . . . 0.0 110.389 174.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.705 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -106.96 167.66 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.775 178.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -87.85 -21.33 25.08 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.303 -165.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.49 -34.33 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.539 166.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' HB2' HG12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -81.48 -19.1 43.04 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.285 176.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 27.2 t . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.881 -159.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.878 0.371 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.72 -29.23 69.23 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.151 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -79.77 -68.17 0.69 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.049 -171.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.67 -20.5 18.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.643 -165.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.05 -30.12 10.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 160.34 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 114.948 -0.626 . . . . 0.0 110.474 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.21 142.79 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.387 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.19 23.97 4.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -168.72 179.25 4.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.352 -0.424 . . . . 0.0 110.185 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.05 -179.74 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.418 167.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.451 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.22 -41.19 98.17 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.724 -171.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -18.13 63.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.367 -171.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -122.52 30.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.518 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.472 179.758 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -69.29 -18.86 63.89 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -93.68 -53.01 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.551 0.691 . . . . 0.0 109.94 -158.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -90.09 -39.59 12.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.445 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.72 -48.53 0.97 Allowed Glycine 0 CA--C 1.526 0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.546 -173.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 161.08 9.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.157 -0.521 . . . . 0.0 110.449 -168.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.74 49.6 1.61 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.397 -167.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.46 -23.91 6.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 174.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -150.15 171.06 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 -166.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.19 167.47 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.776 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.93 -21.29 23.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.324 -164.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -28.4 67.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.544 167.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -78.89 -18.84 53.23 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.302 173.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.467 0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.91 -158.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.93 -30.47 70.23 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.884 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -84.19 -69.97 0.6 Allowed 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.089 -169.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -89.87 -30.35 17.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.773 -167.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.49 30.48 9.1 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.552 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.32 169.07 16.92 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.855 -0.672 . . . . 0.0 110.526 175.457 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.76 45.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.306 -166.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.65 73.78 0.03 OUTLIER Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 165.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 3.4 p-80 -163.35 -179.45 6.57 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 122.575 -0.367 . . . . 0.0 110.112 160.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -165.56 1.32 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.302 165.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.6 ttp -62.48 -36.59 82.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -64.38 -29.58 70.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.444 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -119.83 25.35 10.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.474 -176.344 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 3.9 t . . . . . 0 C--O 1.235 0.291 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.181 169.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--O 1.238 0.497 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--O 1.238 0.497 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.67 -21.86 66.59 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.677 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -93.89 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.791 -160.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.45 -22.7 18.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.953 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.53 -21.39 39.16 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' CD ' ' HG2' ' A' ' 42' ' ' GLU . 10.0 mmtt -77.29 128.06 33.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.268 0.556 . . . . 0.0 110.381 -163.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -87.8 106.71 18.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.307 -171.199 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.51 -79.14 0.09 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -168.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -93.37 171.52 8.86 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 17.9 pt -100.57 161.23 3.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.393 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -58.98 -16.01 15.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.036 172.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.66 -50.18 70.29 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.583 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -97.64 30.63 2.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.521 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 23.2 t . . . . . 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.752 -172.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.233 0.207 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.77 34.74 1.99 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.381 173.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -109.68 -36.21 6.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.521 169.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -116.23 -41.33 3.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.594 -176.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.27 -24.43 3.24 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.574 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HD3' ' CG ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -71.5 -178.77 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.142 0.496 . . . . 0.0 110.53 -170.077 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' HG2' ' CD ' ' A' ' 20' ' ' LYS . 10.7 mp0 -138.73 20.1 2.68 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.401 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.64 -24.24 21.44 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.509 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 48' ' ' ASP . 9.6 p-80 -147.08 -179.62 6.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.42 -0.39 . . . . 0.0 110.221 -168.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -168.29 1.41 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 114.309 -1.314 . . . . 0.0 110.084 169.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.459 ' H ' ' HG3' ' A' ' 46' ' ' MET . 2.1 ppp? -60.64 -24.73 65.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.301 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -51.71 66.79 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.461 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 38.7 t70 -98.8 30.9 3.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.439 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.232 0.179 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.137 176.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 t . . . . . 0 C--O 1.236 0.345 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -62.89 -22.96 67.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.485 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.9 -58.37 1.89 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.151 -157.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -87.91 -30.67 19.93 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.663 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.18 -33.97 5.81 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.522 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.7 151.3 34.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.094 0.473 . . . . 0.0 110.388 -167.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.85 127.61 42.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.504 171.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.13 -43.85 0.49 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -129.04 164.39 23.35 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.476 0.655 . . . . 0.0 110.481 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.772 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -99.51 164.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.471 173.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.09 -16.94 51.72 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.491 -161.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -23.52 62.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.918 171.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.34 29.96 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.435 -169.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.753 -169.628 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.518 0.675 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -81.2 -24.97 37.1 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.828 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.67 -47.48 13.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.506 -166.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -95.78 -25.93 15.87 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.585 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.51 -24.2 30.67 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -77.55 142.66 38.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.359 -0.421 . . . . 0.0 110.393 -169.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -99.73 98.62 9.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.422 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -172.7 -65.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -170.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -109.68 170.71 7.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.371 0.605 . . . . 0.0 110.435 -171.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -114.23 160.9 18.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.405 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.85 -30.41 70.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.354 -171.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -17.63 55.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.505 175.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -107.62 -30.16 8.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.459 174.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.454 -0.226 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.422 -174.389 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -71.34 -19.4 62.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.555 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -92.12 -51.27 5.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.479 0.656 . . . . 0.0 109.943 -157.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -31.36 16.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.725 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.61 -23.81 16.78 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 159.59 12.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 -168.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.51 95.86 5.47 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.513 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.96 -63.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -171.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -108.82 -177.27 3.27 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.877 -0.661 . . . . 0.0 110.341 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.8 pt -115.6 169.68 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.655 -175.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.87 -21.21 25.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.065 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -22.76 62.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 170.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -123.78 29.61 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.549 -169.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.234 0.283 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.798 -168.66 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.879 0.371 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -95.17 19.69 10.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.231 -176.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 -70.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.066 166.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.9 p -73.73 -42.4 61.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.504 -175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.49 30.98 3.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -122.83 172.69 8.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.01 96.19 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.408 -169.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.48 49.52 0.03 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 166.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 179.37 -179.9 0.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.151 167.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.16 176.7 7.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.419 169.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.64 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.503 -168.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -20.03 63.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.45 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.94 -25.87 13.63 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.499 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.422 -168.002 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.238 0.493 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -26.76 68.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.025 -1.443 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -99.1 -58.47 1.93 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.867 -159.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -90.54 -27.56 19.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.992 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.78 -29.9 10.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.1 158.92 15.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.875 -0.663 . . . . 0.0 110.364 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -90.78 144.28 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.275 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.38 25.16 6.78 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 160.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -166.56 155.34 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.51 . . . . 0.0 110.341 159.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.1 pt -93.05 166.52 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.128 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.45 -23.3 46.63 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.082 -162.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -59.7 -29.26 67.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.654 168.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -112.95 34.2 4.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.495 -172.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.755 -170.27 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.234 0.287 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -63.37 -30.28 71.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.943 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -81.22 -68.8 0.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.065 -171.214 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.62 -25.83 17.34 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.793 -168.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.94 24.13 58.38 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 174.89 6.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.222 167.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -118.2 100.68 7.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.331 -169.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.62 49.27 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 165.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -178.83 -176.72 0.47 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.404 -0.398 . . . . 0.0 110.164 164.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -128.79 170.99 12.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.443 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.72 -35.04 76.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.445 -170.324 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.76 -16.74 52.11 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.614 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.9 35.04 1.25 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.4 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.356 165.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 C--O 1.237 0.422 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -21.63 62.08 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.276 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -91.72 -49.81 6.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.303 0.573 . . . . 0.0 109.92 -156.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.32 -37.9 9.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.833 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.51 -32.09 4.61 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.546 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -61.11 175.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.245 -0.478 . . . . 0.0 110.534 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -115.52 -24.29 8.4 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.433 -165.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.3 -22.92 61.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -166.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -144.42 177.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.112 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -119.75 165.57 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.855 -172.301 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.96 -27.85 26.22 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.077 -163.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -23.32 63.28 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.869 171.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.38 -19.47 16.98 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.365 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.095 -158.119 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.237 0.407 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -90.58 25.89 2.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.756 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 -57.85 2.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.071 175.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.1 p -97.2 -41.67 8.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.559 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.98 28.4 4.19 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.549 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 175.81 6.8 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.339 170.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.32 -24.83 12.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.646 -165.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -59.7 0.85 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -161.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -85.54 -179.97 7.01 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 122.495 -0.415 . . . . 0.0 110.395 -161.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -119.43 -177.13 3.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.49 168.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.418 ' H ' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.21 -28.23 68.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.245 -172.415 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -62.04 -23.61 66.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.476 -171.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.01 22.89 6.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.188 -172.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.452 -170.46 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.236 0.372 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.53 -20.13 61.4 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.379 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.46 -51.55 4.72 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.357 0.599 . . . . 0.0 109.917 -156.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -87.96 -24.59 23.52 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.572 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.67 -33.16 6.79 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 171.62 11.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.52 -168.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -119.65 141.65 49.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.433 -171.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.26 22.6 4.8 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.712 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -178.78 164.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 110.027 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 pt -102.11 166.89 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.716 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.2 -15.01 52.17 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 -165.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -31.74 71.53 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.489 174.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -111.49 26.69 10.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.57 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.752 -171.1 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.957 0.408 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -25.28 68.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.703 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -65.78 0.94 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.076 -170.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.1 p -93.01 -18.7 22.37 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.735 -165.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.32 24.2 66.39 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -100.25 174.46 6.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.237 168.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -120.03 105.39 10.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 -167.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.89 52.81 0.26 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 164.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -177.77 176.31 1.23 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.096 162.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -120.58 179.04 4.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 114.218 -1.355 . . . . 0.0 110.393 171.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.58 -27.18 69.01 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.507 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -61.88 -16.56 51.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.468 -170.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.55 30.8 1.7 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.549 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.454 -0.23 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.313 172.262 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.466 0.367 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.01 -23.11 65.88 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.331 -177.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -100.31 -55.79 2.52 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.433 0.635 . . . . 0.0 110.058 -158.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -90.56 -30.31 17.32 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.648 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.43 -25.58 27.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 153.45 28.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.352 170.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -79.29 -159.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.338 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.17 5.49 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 169.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -153.39 165.57 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 110.416 -168.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.793 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -98.95 165.91 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.611 177.031 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.6 -26.95 29.56 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.226 -163.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.374 167.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -102.15 32.47 3.48 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.952 -176.695 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t . . . . . 0 C--O 1.235 0.313 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -30.06 68.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.123 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -70.05 0.45 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.929 -172.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.61 -14.88 34.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.834 -169.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 23.78 72.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.87 162.3 13.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.428 -0.386 . . . . 0.0 110.351 168.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -110.29 94.91 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.436 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.84 50.24 0.04 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 166.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 48' ' ' ASP . 2.3 p-80 -178.4 171.1 1.64 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 122.601 -0.352 . . . . 0.0 110.107 161.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.01 -175.08 2.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 113.403 -1.726 . . . . 0.0 110.136 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 tpt -61.19 -36.2 79.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.484 171.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -78.52 -25.68 45.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.582 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' A' ' 44' ' ' HIS . 16.2 m-20 -103.16 26.5 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.39 171.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.234 0.274 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.089 170.672 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtp . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 59.72 -178.01 0.09 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.249 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.24 133.51 1.41 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.389 -170.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.69 169.6 16.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -169.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.47 24.62 14.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.361 -0.42 . . . . 0.0 110.364 -169.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.7 p90 178.34 151.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.318 169.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -177.42 -33.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.385 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -62.0 87.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.333 -170.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.72 -78.86 0.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.379 -168.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 62.16 -83.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.802 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.58 93.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.326 -168.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -98.17 40.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.489 -165.106 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 13' ' ' ILE . 1.4 pp -86.63 58.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.324 -170.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.67 104.23 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.29 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.6 t -66.02 135.59 54.87 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.963 -174.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -20.96 62.59 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.596 -177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -100.7 -56.42 2.34 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.045 -160.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.83 -27.68 19.79 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.816 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.99 -29.71 10.72 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -69.07 154.23 42.42 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 114.879 -0.661 . . . . 0.0 110.426 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -100.63 149.33 23.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.423 -171.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.96 -30.35 3.08 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 170.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -128.91 162.18 28.14 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 114.907 -0.647 . . . . 0.0 110.473 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.488 HG22 HG12 ' A' ' 12' ' ' ILE . 36.4 pt -95.83 166.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.463 172.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.25 39.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.212 -162.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -59.92 -29.87 68.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.824 171.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.07 39.12 2.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.46 -175.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 25.2 t -101.07 95.14 6.37 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.824 -172.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 67.87 2.35 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.467 153.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.651 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -59.82 141.81 88.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.078 -172.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -63.54 130.32 27.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 N-CA-C 109.914 -0.841 . . . . 0.0 109.914 -157.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 111.84 23.51 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.08 160.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 82.59 8.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.475 -162.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -151.26 119.63 6.4 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.207 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.23 -105.56 0.01 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.7 t -93.66 115.78 28.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.292 0.568 . . . . 0.0 110.353 167.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -85.18 -27.58 26.05 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.043 175.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.4 OUTLIER -61.24 -29.68 69.99 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.334 -169.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.8 p -109.6 -48.66 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.712 167.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 -23.17 2.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.17 169.14 12.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 110.337 -170.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -125.88 35.49 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.435 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.14 -24.12 35.6 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 170.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -151.78 -178.92 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.044 0.449 . . . . 0.0 110.342 -168.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -130.31 153.34 48.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.424 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.438 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -61.81 -32.81 73.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -171.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -15.03 32.47 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.667 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -111.72 -25.88 9.27 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.448 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t -68.65 106.95 2.79 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.206 -164.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.494 HG21 ' NE2' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -126.14 28.48 6.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.83 158.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.72 -84.31 0.02 OUTLIER 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.834 -161.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -175.67 144.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.22 165.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' NE2' HG21 ' A' ' 50' ' ' THR . 23.1 pt20 -154.95 24.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.455 -171.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.47 -162.61 0.27 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.365 167.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 C--O 1.24 0.557 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.314 168.833 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ttp . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.253 0.549 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.96 128.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.378 -170.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 3' ' ' ARG . 5.5 mmm180 61.79 100.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.38 169.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.86 122.36 2.58 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 170.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 68.68 74.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.383 -0.409 . . . . 0.0 110.384 170.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.7 p90 179.51 179.96 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.356 169.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 61.69 179.58 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.432 169.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t30 69.33 84.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.342 -169.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -145.64 -43.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.364 -168.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 64.8 -66.86 0.13 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.473 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.2 102.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.447 169.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 13' ' ' ILE . 15.5 tt -164.92 -50.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.37 167.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.953 HD12 HG23 ' A' ' 24' ' ' ILE . 2.3 tp 58.22 60.86 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.783 166.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 141.16 36.42 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.5 169.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.6 t -104.17 123.7 47.77 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.781 -167.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -70.93 -20.23 62.49 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 114.772 -1.103 . . . . 0.0 111.39 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.405 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 5.6 t30 -93.07 -51.19 5.16 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.386 0.612 . . . . 0.0 109.918 -157.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.47 -33.7 15.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.543 172.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.08 -31.31 7.07 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -62.53 176.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.41 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.08 140.07 48.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.467 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.03 24.44 3.59 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 168.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' HA ' ' CG1' ' A' ' 13' ' ' ILE . 56.9 p-80 -173.91 167.59 4.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.239 0.542 . . . . 0.0 110.283 166.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.953 HG23 HD12 ' A' ' 13' ' ' ILE . 43.0 pt -100.99 167.96 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.589 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -85.32 -25.59 27.06 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.202 -165.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -29.09 69.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.515 169.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -105.87 31.29 5.15 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.677 -176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t -109.48 118.66 37.22 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.984 -171.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.29 33.0 1.63 Allowed 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.798 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.55 148.02 39.27 Favored Pre-proline 0 N--CA 1.469 0.49 0 CA-C-N 114.32 -1.309 . . . . 0.0 109.996 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -80.91 -120.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.433 0 N-CA-C 109.358 -1.055 . . . . 0.0 109.358 153.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.56 98.73 0.07 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.305 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 129.58 41.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.426 -166.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -138.66 -79.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.402 169.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.3 178.45 22.59 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.0 t -90.87 125.36 35.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.266 -0.467 . . . . 0.0 110.275 -169.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -25.21 36.47 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.765 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -80.47 -36.57 33.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.373 -164.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.6 p -107.7 -47.69 3.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.672 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.52 -24.29 3.93 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -64.05 174.89 1.37 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.311 -0.445 . . . . 0.0 110.382 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -124.92 25.05 7.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.456 -171.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -108.37 -50.27 0.77 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.399 -1.08 . . . . 0.0 110.399 -170.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -113.02 171.39 7.56 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.06 -0.57 . . . . 0.0 110.416 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HG2' ' HB2' ' A' ' 48' ' ' ASP . 3.2 pt20 -108.62 160.85 15.6 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.24 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG3' ' HB2' ' A' ' 38' ' ' LYS . 27.1 ttp -67.96 -33.41 74.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.44 -170.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -67.95 -24.02 65.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.456 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 2.9 m-20 -82.92 -32.31 27.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.306 170.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.1 t -72.67 112.11 8.43 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.36 -162.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.55 38.73 3.07 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.777 158.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.66 -84.74 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.077 -162.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -167.38 152.86 7.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.31 163.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -86.44 -71.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.334 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.56 39.17 14.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.352 168.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--O 1.239 0.552 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.317 169.434 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 mmt . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.184 0.516 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 61.91 178.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.344 -171.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ttp85 -113.83 100.47 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.389 -169.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 24.43 36.43 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 170.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -173.02 109.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.361 169.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -76.87 118.95 19.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.384 -169.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -150.87 174.02 13.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.383 169.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -133.11 145.77 51.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.343 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -170.59 141.22 1.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.424 169.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.9 174.3 6.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.318 -169.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.25 109.9 5.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.373 -169.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -157.21 101.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.427 -170.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 pt -59.73 93.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.026 -176.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.39 115.23 0.92 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.19 169.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.3 t -98.38 122.56 41.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.765 -162.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.21 -19.35 62.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.876 -1.057 . . . . 0.0 111.531 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -92.62 -50.86 5.39 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.912 -157.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -90.32 -35.97 14.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.558 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.86 25.72 24.16 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -101.91 177.07 5.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.399 171.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -111.93 138.13 48.98 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.443 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.97 24.75 3.82 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -173.9 174.4 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.225 0.535 . . . . 0.0 110.31 165.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.0 pt -111.28 167.02 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.655 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.61 30.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.136 -164.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.2 -25.69 65.78 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.696 170.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -114.11 29.46 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.595 -172.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 t -103.89 115.66 30.86 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.856 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -103.92 36.48 2.32 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.303 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.67 148.99 65.07 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.77 166.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -81.21 154.73 19.13 Favored 'Trans proline' 0 C--N 1.348 0.53 0 N-CA-C 109.376 -1.048 . . . . 0.0 109.376 153.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.22 144.3 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.578 165.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.28 -76.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.388 164.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.84 -176.01 0.31 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.169 171.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.07 -149.0 21.16 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 163.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t -117.98 121.56 40.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.263 -0.468 . . . . 0.0 110.318 -167.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -103.95 24.44 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.582 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -95.88 -64.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.002 165.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -82.47 -30.7 29.78 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.668 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.93 6.83 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 166.41 3.97 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.035 -0.582 . . . . 0.0 110.546 -176.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.51 76.91 1.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.436 -169.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.07 27.61 0.13 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -174.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.427 ' CE1' ' CG ' ' A' ' 51' ' ' GLU . 38.3 p-80 174.37 -174.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.277 -0.461 . . . . 0.0 110.222 172.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.39 155.54 24.01 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.447 178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 74.0 mtp -61.67 -47.09 86.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.515 -171.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -29.43 70.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.493 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.1 28.54 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.49 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.7 t -82.47 126.68 32.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.439 174.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.73 25.31 4.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.403 171.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' CG ' ' CE1' ' A' ' 44' ' ' HIS . 25.4 mm-40 -73.22 -25.41 60.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.392 -168.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.45 -167.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.373 170.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.17 -84.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.391 169.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.51 -168.8 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.373 -169.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--O 1.24 0.587 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.276 169.631 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 121.186 0.517 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -117.1 28.27 8.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.39 -171.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -128.41 133.71 48.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.348 169.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.0 112.85 0.32 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -169.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 66.71 84.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.316 169.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.15 156.8 44.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.346 -169.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -78.91 138.64 38.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.379 169.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -81.13 176.46 9.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.327 -169.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.67 -84.51 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.414 -169.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.71 138.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.397 -169.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? 63.78 151.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.379 -168.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG22 ' H ' ' A' ' 13' ' ' ILE . 8.6 mt -133.73 166.18 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.377 -170.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.606 HG21 ' CG2' ' A' ' 24' ' ' ILE . 21.1 tt -117.47 170.14 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.32 -167.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -111.12 156.07 21.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.54 179.192 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.5 t -96.99 130.76 44.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.603 -169.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -73.13 -20.76 60.86 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.038 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -96.22 -52.05 4.16 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.43 0.634 . . . . 0.0 109.984 -158.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -90.91 -30.83 16.66 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.595 172.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.77 -36.02 4.64 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -62.08 166.5 4.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.032 0.444 . . . . 0.0 110.307 -169.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.93 128.44 54.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 -170.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.97 24.23 2.55 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 168.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -165.48 164.57 19.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 110.207 161.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.637 HD12 ' HG2' ' A' ' 26' ' ' LYS . 16.8 pt -106.03 162.89 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.717 0.77 . . . . 0.0 111.002 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.39 -15.81 57.25 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.104 -159.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.637 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -78.44 -23.17 46.72 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 114.284 -1.325 . . . . 0.0 111.017 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -105.04 26.97 8.62 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.65 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.8 t -105.91 125.2 50.71 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.806 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -127.14 42.69 3.27 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.035 165.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.72 148.72 66.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.944 172.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -80.79 -143.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 109.507 -0.997 . . . . 0.0 109.507 154.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.58 81.29 0.21 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.155 -164.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -179.48 142.24 0.17 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.254 -165.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 178.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.407 168.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.82 -145.42 9.11 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -168.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 t -112.52 120.19 40.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.331 -0.434 . . . . 0.0 110.412 171.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -29.32 52.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.871 177.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -65.72 -42.8 90.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.468 -167.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -111.17 -36.93 5.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.686 -173.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.69 30.87 4.73 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.49 151.44 50.97 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 114.718 -0.741 . . . . 0.0 110.174 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -112.94 77.62 1.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.841 0.829 . . . . 0.0 110.488 -166.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.62 31.61 0.1 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 178.31 112.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.362 -0.419 . . . . 0.0 110.173 168.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -65.21 159.77 22.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.37 -171.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 mtp -61.73 -24.69 66.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.495 -169.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -18.98 62.48 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.621 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.73 -25.58 13.48 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.449 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -83.29 123.26 29.44 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.293 -164.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.9 22.17 2.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.064 160.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.97 -157.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.457 -164.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 64.12 84.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.468 -171.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . 2.5 mm-40 -165.18 69.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.399 -170.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -130.69 25.43 5.05 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.37 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.543 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.323 169.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.27 0.557 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -99.77 38.47 1.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.406 -171.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 3' ' ' ARG . 0.0 OUTLIER 63.94 99.69 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.436 -179.361 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.24 -69.6 0.48 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 171.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -92.01 -174.38 3.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.351 -0.424 . . . . 0.0 110.364 -170.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.483 ' CZ ' ' NH1' ' A' ' 7' ' ' ARG . 39.6 p90 -102.62 -24.98 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.467 170.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.483 ' NH1' ' CZ ' ' A' ' 6' ' ' PHE . 10.1 ptp85 -113.17 174.39 5.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.394 170.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -159.7 170.51 21.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.352 -169.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.94 166.54 3.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.395 -169.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.88 171.28 13.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.436 -169.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -119.11 24.95 10.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.383 -170.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.5 tt -128.73 123.67 59.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.163 166.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.891 ' CD1' HG23 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -108.84 108.58 25.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.314 -164.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.1 155.63 44.03 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.123 163.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t -103.8 129.92 51.29 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.843 -159.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -74.54 -22.16 59.16 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 114.541 -1.209 . . . . 0.0 111.039 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 3.8 t30 -94.55 -50.92 4.98 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.925 -156.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 33' ' ' LYS . 25.0 p -88.96 -23.16 22.73 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.621 169.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.35 -35.3 4.79 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -175.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 167.17 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.338 -0.431 . . . . 0.0 110.414 -168.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -106.33 141.45 37.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.349 -170.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.0 24.18 4.33 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.8 p-80 -173.98 160.18 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.326 0.584 . . . . 0.0 110.391 167.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.891 HG23 ' CD1' ' A' ' 13' ' ' ILE . 47.9 pt -94.77 165.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.451 177.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -79.53 -25.82 41.64 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.232 -161.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -59.75 -28.8 67.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.781 169.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -107.57 30.52 6.2 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.451 -173.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 t -92.51 115.46 28.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.896 -167.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -103.26 40.42 1.41 Allowed 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.3 171.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.68 149.46 52.1 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.951 164.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -79.4 81.17 2.86 Favored 'Trans proline' 0 C--N 1.348 0.537 0 N-CA-C 109.393 -1.041 . . . . 0.0 109.393 154.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 60.96 -174.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.416 162.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 18' ' ' CYS . 3.6 tptp -175.5 -168.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.18 -168.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 85.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.475 -169.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.8 -130.57 3.15 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -131.65 125.52 32.36 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.806 -0.697 . . . . 0.0 110.507 176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -96.99 31.2 2.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.601 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -121.76 -62.7 1.38 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.922 176.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 54' ' ' ALA . 19.6 p -86.64 -17.55 33.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.646 176.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.77 30.84 61.1 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.845 ' HD2' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -130.45 174.94 9.39 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.869 -0.665 . . . . 0.0 110.26 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -110.53 155.0 22.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.405 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.94 23.06 7.96 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 179.77 159.59 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.325 0.583 . . . . 0.0 110.283 167.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.54 155.89 18.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.414 -173.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.405 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 4.3 tmm? -71.68 -37.05 70.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.372 -166.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -18.31 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.332 169.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.67 -31.34 16.65 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.414 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.2 t -70.56 133.02 46.36 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.332 -164.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.9 32.83 0.44 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.404 165.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -140.43 91.52 2.44 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.512 -165.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.91 -165.73 0.21 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.551 161.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -97.78 44.19 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.348 168.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.845 ' HB3' ' HD2' ' A' ' 41' ' ' LYS . . . 61.59 163.67 0.08 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.333 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.241 0.642 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.297 -167.792 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 121.264 0.554 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.04 36.44 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.392 171.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -117.28 -67.7 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.395 169.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.33 -114.45 0.59 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -169.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.4 m120 66.25 143.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.329 -0.435 . . . . 0.0 110.398 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -95.11 -72.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.361 -169.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -149.55 174.32 12.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.367 169.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.63 -54.69 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.348 169.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.65 99.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.423 -169.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -168.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.322 168.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.7 146.89 47.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.377 -168.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.3 mt -71.57 130.99 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.446 -167.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG12 ' CG2' ' A' ' 24' ' ' ILE . 0.6 OUTLIER -171.23 111.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.347 -170.39 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.01 109.8 16.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.402 -168.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 t -63.1 124.97 22.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.948 168.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -20.88 65.44 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.093 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -95.66 -54.7 3.27 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.46 0.647 . . . . 0.0 109.935 -157.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -89.73 -27.31 20.15 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.694 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -65.05 147.56 53.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.359 -171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.53 159.99 27.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.377 171.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.66 -51.79 0.8 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -118.83 -176.16 3.05 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.455 0.645 . . . . 0.0 110.429 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.416 ' CG2' HG12 ' A' ' 13' ' ' ILE . 49.2 pt -125.96 166.42 22.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.504 -178.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.1 42.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.299 -163.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -22.69 63.77 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.722 171.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.13 30.34 7.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.711 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.1 t -107.64 123.13 48.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.878 -170.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 29' ' ' ARG . 3.4 ttm105 -121.55 41.31 3.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.139 166.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.09 149.08 68.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.799 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -80.56 -151.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 109.379 -1.046 . . . . 0.0 109.379 152.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -106.58 81.41 1.58 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.366 169.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.1 29.88 3.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.333 -169.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.26 79.92 1.66 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.368 168.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -152.78 179.96 28.82 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -170.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.4 t -109.04 131.18 55.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.111 0.482 . . . . 0.0 110.442 170.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 -31.5 54.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.061 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -64.09 -63.44 1.15 Allowed 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.839 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.2 p -100.13 -37.94 8.74 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.569 -169.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.64 8.8 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -70.03 173.83 6.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.291 -0.454 . . . . 0.0 110.405 -168.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.59 107.51 9.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.359 -169.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 166.42 -60.64 0.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -169.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -104.55 165.08 11.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.347 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.53 170.64 7.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.382 169.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.68 -35.17 77.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.457 -167.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -22.12 66.67 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.5 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.68 24.9 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.444 -176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.1 t -74.34 128.77 36.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.372 169.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 50' ' ' THR . 18.1 m -124.36 25.69 7.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.497 171.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -107.65 26.36 10.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.395 -171.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -80.92 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.346 169.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.47 153.91 32.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.372 -168.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.99 -53.01 1.86 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.252 -169.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 . . . . . 0 C--O 1.24 0.581 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.354 169.3 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 121.213 0.53 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 61.83 73.81 0.46 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.475 -171.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 62.37 32.05 17.04 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.373 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.46 119.13 4.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -163.38 1.04 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.36 -170.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -79.7 175.72 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.365 169.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -29.43 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.37 -169.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -135.73 -81.5 0.41 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.312 -170.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 59.94 -172.47 0.12 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.249 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 64.87 125.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.317 -168.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.594 ' HB3' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -136.22 -174.07 3.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.415 -166.253 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.594 HD12 ' HB3' ' A' ' 11' ' ' LYS . 3.5 mp 60.44 31.77 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.098 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.577 HG23 ' O ' ' A' ' 11' ' ' LYS . 24.1 pt -107.92 169.47 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.35 -176.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' HG13 ' A' ' 13' ' ' ILE . 6.7 ptpt 54.42 99.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.63 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.2 t -62.31 123.65 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.087 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -70.79 -22.01 62.41 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.946 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 4.0 t30 -92.27 -49.88 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.877 -156.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -89.99 -28.28 19.21 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.51 168.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.84 -31.96 8.09 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 164.41 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.397 -170.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 132.67 50.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.352 -171.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.37 25.04 2.77 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 167.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -171.09 176.03 4.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.302 164.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.538 HG21 HG23 ' A' ' 12' ' ' ILE . 1.3 pt -112.2 166.98 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.57 -174.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 17' ' ' ASN . . . -83.25 -27.54 29.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.237 -164.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -27.96 67.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.613 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -108.08 29.17 7.55 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.637 -173.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.5 t -105.67 118.43 36.58 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.947 -168.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 33.53 1.71 Allowed 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.653 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.08 148.35 56.33 Favored Pre-proline 0 N--CA 1.469 0.484 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.113 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.08 155.54 22.82 Favored 'Trans proline' 0 C--N 1.348 0.552 0 N-CA-C 109.476 -1.009 . . . . 0.0 109.476 153.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.28 127.92 6.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.288 168.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -147.62 -174.44 4.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.387 -168.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -156.29 147.32 22.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.437 -168.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 34' ' ' ARG . . . -91.9 -168.56 40.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -171.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.8 t -130.22 118.88 22.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.333 -0.434 . . . . 0.0 110.415 -170.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.59 31.2 2.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.437 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 5.8 tmtt? -115.59 -62.22 1.63 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.026 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 20.4 p -82.65 -33.53 27.76 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 114.546 -1.207 . . . . 0.0 110.648 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.42 -25.48 11.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 155.56 32.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.388 -170.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.32 25.19 10.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.396 -170.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -102.99 -57.37 0.77 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.449 -1.061 . . . . 0.0 110.449 -170.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -112.65 177.47 4.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.311 0.577 . . . . 0.0 110.443 -169.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.44 164.51 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.484 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 81.5 mtp -63.68 -42.27 98.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.429 -173.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -63.0 -28.63 70.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.586 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.56 28.03 8.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.416 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 t -75.34 115.23 14.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.48 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.0 t -98.83 23.72 8.49 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.475 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -139.98 75.23 1.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.259 168.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.2 149.16 50.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.365 -167.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.54 98.69 2.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.352 -169.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.78 -72.22 0.38 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.236 -169.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 C--O 1.24 0.579 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.315 169.294 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt . . . . . 0 N--CA 1.473 0.683 0 CA-C-O 121.274 0.559 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.98 172.63 8.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.375 -171.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.44 28.07 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.533 -169.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.47 74.61 0.88 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.451 -1.059 . . . . 0.0 110.451 -175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.65 123.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.33 -169.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' HB3' ' HG3' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -147.53 -179.79 7.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.306 -168.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HG3' ' HB3' ' A' ' 6' ' ' PHE . 36.8 mtt-85 64.73 89.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.52 169.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.403 ' HB3' ' HD2' ' A' ' 10' ' ' ARG . 6.1 m-80 62.17 -177.47 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.475 169.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -179.47 -78.54 0.01 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.238 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HB2' HG13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER 65.87 152.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.514 166.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -96.44 -25.27 15.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.255 165.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG23 ' HD3' ' A' ' 14' ' ' LYS . 56.7 mt 64.65 71.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.515 166.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.635 HD12 ' HA2' ' A' ' 22' ' ' GLY . 10.0 pt -88.62 61.19 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.499 -172.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD3' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -118.94 124.57 47.39 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.32 175.264 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t -96.62 118.2 32.61 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.696 -166.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.08 -22.36 64.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.782 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.18 -49.95 5.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.844 -157.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -95.58 -27.16 15.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.74 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.8 -31.05 8.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -69.03 166.23 18.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.231 -0.484 . . . . 0.0 110.31 -171.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -108.03 138.98 43.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.388 -169.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.635 ' HA2' HD12 ' A' ' 13' ' ' ILE . . . 116.54 24.7 3.66 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 169.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -170.24 163.69 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.264 0.555 . . . . 0.0 110.193 164.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.769 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -98.08 165.46 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.599 176.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.23 -23.95 28.02 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.253 -163.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -30.3 70.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 168.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.75 32.18 3.78 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.895 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.3 t -114.87 125.12 53.3 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.025 -175.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.58 39.73 3.68 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.182 167.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.71 146.4 66.25 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.329 167.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -64.63 -67.51 0.04 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.077 0 N-CA-C 109.834 -0.872 . . . . 0.0 109.834 -162.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 64.43 27.99 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.401 -164.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -163.08 119.81 1.86 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.319 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.85 -174.43 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.342 -167.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.39 -157.0 9.69 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.399 -1.081 . . . . 0.0 110.399 -168.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.2 t -140.18 123.46 16.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.398 -0.401 . . . . 0.0 110.266 -167.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -102.62 29.18 5.46 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.483 175.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 2.2 tttt -110.72 -48.76 3.1 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.504 173.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.91 -37.95 8.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.597 171.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.34 -24.96 7.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 170.54 2.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.288 -0.456 . . . . 0.0 110.407 -169.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.03 126.58 51.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.377 168.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.12 -36.52 0.49 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.7 p-80 -145.59 171.1 15.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.389 -0.406 . . . . 0.0 110.373 -168.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -99.36 165.97 11.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.342 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 7.2 mtm -62.2 -48.63 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 176.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -61.24 -16.31 43.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.758 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.83 30.14 5.76 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.364 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 21.4 t -69.69 111.99 5.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.004 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.2 t -60.95 -15.55 32.6 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.737 -177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER 60.9 -67.94 0.05 OUTLIER 'General case' 0 C--O 1.24 0.577 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.267 176.234 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 58.46 170.14 0.06 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.227 -176.232 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 178.92 -34.96 0.01 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.259 -166.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.82 -82.69 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.424 171.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.24 0.605 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.333 170.383 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpp? . . . . . 0 N--CA 1.473 0.725 0 CA-C-O 121.168 0.508 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -146.96 162.39 38.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.355 -170.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.07 122.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.347 169.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.26 -163.44 30.73 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 167.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -172.97 120.06 0.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.391 -170.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -179.35 -74.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.306 167.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 63.91 171.6 0.17 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.37 168.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -172.21 151.64 2.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.372 169.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -149.85 167.1 27.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.399 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -151.37 -170.29 3.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.412 -169.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.44 -171.59 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.353 -169.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.782 HG23 ' H ' ' A' ' 13' ' ' ILE . 1.8 tt -109.69 -150.07 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.862 -167.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.782 ' H ' HG23 ' A' ' 12' ' ' ILE . 46.7 pt -86.95 175.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.357 0.598 . . . . 0.0 110.474 -163.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? 179.4 164.16 0.96 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.237 -170.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -62.78 116.24 5.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.957 167.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -71.09 -15.12 62.51 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.801 -1.091 . . . . 0.0 112.036 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.39 -50.25 5.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.227 0.537 . . . . 0.0 109.896 -158.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 p -89.53 -26.77 20.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.626 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.88 -28.28 9.52 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -64.61 153.28 39.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.097 -0.551 . . . . 0.0 110.374 -172.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -96.64 139.14 33.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.361 169.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.2 -62.8 0.52 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 169.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -94.32 179.28 5.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 pt -115.31 168.28 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.639 -173.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.58 -25.85 26.46 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.083 -166.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -22.4 61.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.958 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.91 30.78 6.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.515 -170.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 23.0 t -104.48 101.73 11.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.795 -171.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.79 49.97 1.19 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.165 167.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.598 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -59.05 159.34 14.32 Favored Pre-proline 0 CA--C 1.512 -0.483 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.533 -177.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HD2' ' HB1' ' A' ' 30' ' ' ALA . 28.8 Cg_endo -63.69 171.22 7.33 Favored 'Trans proline' 0 C--N 1.359 1.129 0 N-CA-C 110.192 -0.734 . . . . 0.0 110.192 -163.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -82.52 0.49 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.367 -165.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.98 -33.74 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.607 -173.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.61 139.3 57.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.569 -161.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.11 135.44 8.77 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 169.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.34 102.12 14.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.512 0.672 . . . . 0.0 110.35 166.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.437 ' HA ' ' HA2' ' A' ' 40' ' ' GLY . 19.3 t-105 -82.61 -9.23 59.48 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.863 -1.062 . . . . 0.0 112.226 176.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -61.22 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.815 178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 p -79.9 -31.79 40.23 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.521 168.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 37' ' ' TRP . . . 101.01 26.15 8.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.367 -1.093 . . . . 0.0 110.367 172.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.84 174.64 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.36 -0.42 . . . . 0.0 110.335 -168.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.39 -174.89 2.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.329 167.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.62 -24.74 30.91 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -150.09 178.8 8.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.379 -0.41 . . . . 0.0 110.388 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' HG3' ' H ' ' A' ' 46' ' ' MET . 10.7 tp-100 -113.85 171.52 7.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.313 170.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.459 ' H ' ' HG3' ' A' ' 45' ' ' GLN . 19.9 ptt? -62.01 -31.64 72.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.419 178.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -45.54 93.19 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.509 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -71.08 -26.14 62.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.469 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.67 116.75 12.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.49 -167.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.0 t -65.47 -26.95 68.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.527 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 57.67 -87.88 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.519 -166.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -79.63 -76.89 0.2 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.542 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 54' ' ' ALA . 17.1 pt20 -174.6 -51.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.368 -171.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 53' ' ' GLN . . . 61.53 92.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.352 -167.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 t30 . . . . . 0 C--O 1.241 0.612 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.291 170.389 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttp . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 121.213 0.53 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.95 161.08 30.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.364 -171.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -62.28 98.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.3 -170.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.31 44.02 1.23 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 169.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -61.76 109.56 1.26 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.145 0.498 . . . . 0.0 110.349 -168.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -117.35 -52.86 2.47 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.429 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.5 84.22 0.15 Allowed 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.44 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.463 ' HB2' ' NH2' ' A' ' 10' ' ' ARG . 2.4 p30 -105.73 167.49 9.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.355 -169.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -171.74 116.47 0.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.378 169.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.463 ' NH2' ' HB2' ' A' ' 8' ' ' ASN . 3.6 mmp_? -71.6 -167.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.453 168.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HD3' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.81 -175.07 0.06 Allowed 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.557 -178.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.445 HD13 ' HE2' ' A' ' 16' ' ' PHE . 2.0 tt -160.7 166.2 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.473 173.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.9 tp -175.86 168.3 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.151 -163.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 53.95 167.67 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 123.001 0.52 . . . . 0.0 112.391 174.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.0 t -61.52 123.68 18.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 113.856 -1.52 . . . . 0.0 109.895 -168.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' HE2' HD13 ' A' ' 12' ' ' ILE . 68.2 m-85 -69.65 -21.32 63.55 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.834 -1.076 . . . . 0.0 111.338 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.39 -50.16 5.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.889 -156.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 p -92.77 -39.38 11.27 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.497 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.16 34.05 3.8 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.558 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -120.33 148.05 44.23 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 114.949 -0.625 . . . . 0.0 110.367 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -101.37 128.47 47.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.555 170.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.5 -45.57 0.65 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -126.21 170.18 12.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.402 0.62 . . . . 0.0 110.389 174.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.705 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -106.96 167.66 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.775 178.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -87.85 -21.33 25.08 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.303 -165.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.49 -34.33 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.539 166.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' HB2' HG12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -81.48 -19.1 43.04 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.285 176.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' CB ' ' HA ' ' A' ' 25' ' ' ALA . 27.2 t -85.4 124.09 31.6 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.881 -159.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -121.02 46.82 1.94 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.142 166.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.67 134.94 88.17 Favored Pre-proline 0 N--CA 1.471 0.595 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.52 -171.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -65.89 -162.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.357 0.985 0 N-CA-C 109.599 -0.962 . . . . 0.0 109.599 -162.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -171.53 116.11 0.4 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.249 165.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt 64.99 142.49 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.552 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.82 -176.52 0.46 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.333 168.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.08 -88.51 0.11 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -166.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t -61.19 124.97 22.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.161 -0.52 . . . . 0.0 110.268 163.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -60.72 -29.23 69.23 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.151 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -79.77 -68.17 0.69 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.049 -171.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.2 p -95.67 -20.5 18.87 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.643 -165.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.05 -30.12 10.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 160.34 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 114.948 -0.626 . . . . 0.0 110.474 -178.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.21 142.79 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.387 -171.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.19 23.97 4.99 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -168.72 179.25 4.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.352 -0.424 . . . . 0.0 110.185 168.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -121.05 -179.74 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.418 167.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.451 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -62.22 -41.19 98.17 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.724 -171.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -18.13 63.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.367 -171.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -122.52 30.83 6.33 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.518 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 t -99.02 121.85 41.5 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.472 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -24.03 65.36 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.527 174.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 57.77 173.49 0.05 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.424 167.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.08 115.47 0.04 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.212 -167.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -98.17 37.89 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.315 -166.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.66 138.68 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.203 167.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 C--O 1.241 0.632 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.27 -168.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 121.524 0.678 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -87.45 0.01 OUTLIER 'General case' 0 CA--C 1.523 -0.091 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.53 -171.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.85 -169.71 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.38 169.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -100.29 0.08 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.401 -1.079 . . . . 0.0 110.401 168.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 61.75 -172.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.397 -0.402 . . . . 0.0 110.362 168.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -149.89 113.27 4.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.343 169.513 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -174.78 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.392 169.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -124.37 115.02 20.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.414 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -158.81 137.11 10.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.369 -169.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -131.2 85.0 2.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.477 168.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -149.98 151.76 33.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.272 173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 12' ' ' ILE . 3.5 mp -98.72 31.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.736 -167.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.8 pt -90.5 109.88 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.35 -170.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? 178.31 165.68 0.78 Allowed 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.303 -170.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 t -62.79 121.7 14.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.945 166.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -69.29 -18.86 63.89 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.529 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -93.68 -53.01 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.551 0.691 . . . . 0.0 109.94 -158.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.7 p -90.09 -39.59 12.8 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.445 174.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.72 -48.53 0.97 Allowed Glycine 0 CA--C 1.526 0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.546 -173.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.29 161.08 9.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.157 -0.521 . . . . 0.0 110.449 -168.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.74 49.6 1.61 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.397 -167.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.46 -23.91 6.7 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 174.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -150.15 171.06 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 -166.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.19 167.47 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.776 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.93 -21.29 23.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.324 -164.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -28.4 67.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.544 167.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -78.89 -18.84 53.23 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.302 173.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.549 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 23.2 t -89.37 106.57 18.54 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.91 -158.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.79 62.11 0.76 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 123.207 1.479 . . . . 0.0 109.799 157.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.549 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -60.16 131.14 89.69 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.63 175.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -64.91 158.6 50.43 Favored 'Trans proline' 0 N--CA 1.45 -1.069 0 N-CA-C 109.833 -0.872 . . . . 0.0 109.833 -160.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.8 138.93 0.09 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.992 166.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.6 -164.77 0.25 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.181 164.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.48 147.54 0.06 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.496 -167.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.55 -84.4 0.08 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 -164.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.54 125.98 25.71 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.303 175.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -60.93 -30.47 70.23 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.884 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' NZ ' ' HG3' ' A' ' 51' ' ' GLU . 14.3 ttpp -84.19 -69.97 0.6 Allowed 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.089 -169.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.2 p -89.87 -30.35 17.95 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.773 -167.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.49 30.48 9.1 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.552 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.32 169.07 16.92 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.855 -0.672 . . . . 0.0 110.526 175.457 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -108.76 45.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.306 -166.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.65 73.78 0.03 OUTLIER Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 165.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 3.4 p-80 -163.35 -179.45 6.57 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 122.575 -0.367 . . . . 0.0 110.112 160.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.84 -165.56 1.32 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.302 165.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.6 ttp -62.48 -36.59 82.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -64.38 -29.58 70.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.444 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -119.83 25.35 10.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.474 -176.344 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 3.9 t -69.31 150.03 47.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.181 169.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.6 m -58.2 -17.71 20.88 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.158 163.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HG3' ' NZ ' ' A' ' 38' ' ' LYS . 4.0 mm-40 -73.65 68.59 1.22 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.237 164.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 20.7 ttt180 -175.59 152.07 1.27 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.273 -173.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 52' ' ' ARG . 38.8 tp60 -175.97 -82.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.45 167.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.47 -85.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.658 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.24 0.603 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.314 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.277 0.561 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -163.14 25.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.336 -171.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.23 123.68 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.339 169.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.91 -174.9 13.75 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 170.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -172.93 116.59 0.29 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.35 -169.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.56 100.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.329 168.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -165.27 176.18 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.299 168.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -131.76 164.1 26.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.365 -167.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -101.29 -165.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.334 168.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -130.43 -81.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.441 169.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.571 ' O ' HG21 ' A' ' 24' ' ' ILE . 5.8 tppt? 61.43 107.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.509 168.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -157.12 118.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.403 -174.078 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 13' ' ' ILE . 14.8 tt -176.56 56.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.461 171.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.12 172.95 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.889 -174.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t -110.36 121.01 44.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.148 -163.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.571 HG21 ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 20.4 t -90.89 119.18 30.88 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 49.22 1.21 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.109 166.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -62.93 147.1 94.67 Favored Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.628 -172.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -83.52 -176.03 2.57 Favored 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 109.742 -0.907 . . . . 0.0 109.742 159.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 179.95 77.44 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.136 160.512 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.66 166.47 2.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.593 -177.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 169.91 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.343 -169.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.53 -168.04 21.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 164.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.2 128.74 37.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 165.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HD2' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t -79.07 146.06 33.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.22 31.44 2.19 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.607 165.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 58.02 169.82 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.056 168.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' NE ' ' HD2' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -110.25 24.64 12.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 -166.23 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -102.8 24.61 10.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.4 -162.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.254 169.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.241 0.61 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 169.758 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.473 0.721 0 CA-C-O 121.277 0.561 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -163.14 25.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.336 -171.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.23 123.68 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.339 169.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.91 -174.9 13.75 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 170.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -172.93 116.59 0.29 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.35 -169.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.56 100.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.329 168.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -165.27 176.18 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.299 168.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -131.76 164.1 26.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.365 -167.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -101.29 -165.45 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.334 168.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -130.43 -81.34 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.441 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.571 ' O ' HG21 ' A' ' 24' ' ' ILE . 5.8 tppt? 61.43 107.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.509 168.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -157.12 118.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.403 -174.078 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 13' ' ' ILE . 14.8 tt -176.56 56.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.461 171.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.12 172.95 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.889 -174.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 t -110.36 121.01 44.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.148 -163.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -71.77 -17.91 62.15 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.812 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -92.06 -50.93 5.44 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.2 0.524 . . . . 0.0 109.921 -155.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.73 -38.61 12.93 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.485 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.46 -36.2 3.23 Favored Glycine 0 CA--C 1.522 0.514 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.643 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -61.53 174.57 0.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.422 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.12 -26.24 5.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.477 -162.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.1 -24.65 63.36 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -165.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -131.05 178.51 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.22 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.571 HG21 ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -118.69 163.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.777 -175.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.04 -24.42 24.63 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.235 -159.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.91 -26.89 67.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.523 0.677 . . . . 0.0 110.538 165.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -86.64 -18.49 31.22 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.485 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 20.4 t -90.89 119.18 30.88 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.997 -156.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.19 49.22 1.21 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.109 166.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -62.93 147.1 94.67 Favored Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.628 -172.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -83.52 -176.03 2.57 Favored 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 109.742 -0.907 . . . . 0.0 109.742 159.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER 179.95 77.44 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.136 160.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.66 166.47 2.63 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.593 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 169.91 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.343 -169.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.53 -168.04 21.82 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 164.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 t -61.2 128.74 37.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.71 0.767 . . . . 0.0 110.335 165.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -71.91 -32.89 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.332 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HD2' ' NE ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -67.51 -65.46 0.68 Allowed 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.852 -178.227 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.7 p -97.48 -18.94 18.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.791 -166.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -25.07 29.7 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -71.3 139.53 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 -167.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -98.67 33.42 2.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.495 -173.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.04 23.78 5.19 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -175.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' NE2' ' HA ' ' A' ' 49' ' ' CYS . 4.2 p-80 179.89 162.33 0.97 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.46 -0.37 . . . . 0.0 110.076 166.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -167.72 1.88 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.908 159.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttt -62.46 -23.28 66.81 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.627 -171.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.12 83.05 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.418 -177.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.3 28.35 4.58 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.343 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.463 ' HA ' ' NE2' ' A' ' 44' ' ' HIS . 2.2 t -79.07 146.06 33.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.076 173.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.22 31.44 2.19 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.607 165.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 58.02 169.82 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.056 168.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' NE ' ' HD2' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -110.25 24.64 12.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.388 -166.23 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -102.8 24.61 10.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.315 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.4 -162.5 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.254 169.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.241 0.61 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 169.758 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ptt? . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.218 0.532 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.97 -79.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.403 171.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.6 tpt85 -166.66 164.51 16.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.403 -169.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.68 -24.38 64.18 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 169.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t30 69.41 95.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.356 -170.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 70.71 126.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.295 168.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -62.02 97.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.249 168.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.61 -46.21 5.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.383 -168.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -86.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.39 171.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.41 158.49 44.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.352 -169.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HD3' HG22 ' A' ' 12' ' ' ILE . 1.0 OUTLIER 179.29 -168.82 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.31 -169.264 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.493 HG22 ' HD3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -61.82 107.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.339 167.714 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.533 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -61.62 110.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.37 -168.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.56 171.44 14.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.432 -166.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 t -102.08 125.05 48.68 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.801 -165.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.67 -21.86 66.59 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.677 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -93.89 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.791 -160.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.45 -22.7 18.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.953 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.53 -21.39 39.16 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' CD ' ' HG2' ' A' ' 42' ' ' GLU . 10.0 mmtt -77.29 128.06 33.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.268 0.556 . . . . 0.0 110.381 -163.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CG ' ' HD3' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -87.8 106.71 18.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.307 -171.199 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.51 -79.14 0.09 OUTLIER Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -168.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.3 p-80 -93.37 171.52 8.86 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.366 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 17.9 pt -100.57 161.23 3.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.393 175.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 28' ' ' CYS . . . -58.98 -16.01 15.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.006 -0.997 . . . . 0.0 111.036 172.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.66 -50.18 70.29 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.583 -178.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -97.64 30.63 2.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.521 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 23.2 t -104.34 120.56 41.47 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.752 -172.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 61.38 1.43 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.182 151.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -66.34 147.59 98.85 Favored Pre-proline 0 N--CA 1.473 0.679 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.313 -158.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HG2' ' CG ' ' A' ' 33' ' ' LYS . 56.4 Cg_endo -83.52 -136.38 0.02 OUTLIER 'Trans proline' 0 C--O 1.238 0.483 0 N-CA-C 108.582 -1.353 . . . . 0.0 108.582 150.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' CD ' ' N ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -131.49 101.51 5.55 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.704 156.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' CG ' ' HG2' ' A' ' 31' ' ' PRO . 5.8 mmtp -119.44 -28.92 5.25 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.505 -160.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HD2' ' NE1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER 56.5 -175.78 0.06 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.662 -171.336 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' N ' ' HG3' ' A' ' 42' ' ' GLU . . . -138.82 -99.3 0.46 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 -165.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 t -61.98 110.84 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.479 -0.36 . . . . 0.0 110.215 167.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.462 ' NE1' ' HD2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.77 34.74 1.99 Allowed 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.381 173.416 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -109.68 -36.21 6.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.521 169.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.5 p -116.23 -41.33 3.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.594 -176.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.27 -24.43 3.24 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.574 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HD3' ' CG ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -71.5 -178.77 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.142 0.496 . . . . 0.0 110.53 -170.077 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 35' ' ' GLY . 10.7 mp0 -138.73 20.1 2.68 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.401 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.64 -24.24 21.44 Favored Glycine 0 CA--C 1.524 0.649 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.509 -173.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 48' ' ' ASP . 9.6 p-80 -147.08 -179.62 6.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.42 -0.39 . . . . 0.0 110.221 -168.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 -168.29 1.41 Allowed 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 114.309 -1.314 . . . . 0.0 110.084 169.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.459 ' H ' ' HG3' ' A' ' 46' ' ' MET . 2.1 ppp? -60.64 -24.73 65.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.301 -172.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -51.71 66.79 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.461 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 44' ' ' HIS . 38.7 t70 -98.8 30.9 3.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.439 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 t -80.86 146.18 30.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.137 176.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.501 ' O ' HG22 ' A' ' 50' ' ' THR . 14.4 m -95.99 33.32 1.72 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.565 165.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HG3' ' HB3' ' A' ' 38' ' ' LYS . 1.5 tt0 -61.45 -168.86 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.282 -1.326 . . . . 0.0 110.451 174.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 52' ' ' ARG . 2.2 mtp-105 -158.57 33.26 0.23 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.443 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -98.58 147.96 24.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.361 168.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -174.79 122.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.257 -169.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--O 1.24 0.574 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.291 169.368 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ttt . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.255 0.55 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 65.36 69.61 0.47 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.398 170.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 -117.15 102.12 9.03 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.432 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 -46.36 0.19 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -169.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -108.63 -78.73 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.365 -0.418 . . . . 0.0 110.312 -169.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -62.53 102.98 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.385 -168.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.39 29.54 2.7 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.396 175.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -123.28 101.32 7.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.35 176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.23 26.4 5.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.438 168.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -66.24 -80.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.39 -171.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? 61.81 -169.65 0.17 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.34 -168.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 tt -175.79 65.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.615 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 13' ' ' ILE . 1.4 pp -88.04 58.96 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.326 -171.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.69 144.26 0.13 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.414 -175.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.1 t -103.46 130.62 50.85 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.691 -168.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -62.89 -22.96 67.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.485 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -102.9 -58.37 1.89 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.151 -157.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -87.91 -30.67 19.93 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.663 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.18 -33.97 5.81 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.522 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.7 151.3 34.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.094 0.473 . . . . 0.0 110.388 -167.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.85 127.61 42.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.504 171.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.13 -43.85 0.49 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -129.04 164.39 23.35 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 121.476 0.655 . . . . 0.0 110.481 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.772 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -99.51 164.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.471 173.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.09 -16.94 51.72 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.491 -161.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.25 -23.52 62.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.918 171.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.34 29.96 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.435 -169.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 27.9 t -93.32 97.06 10.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.753 -169.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.29 66.19 1.28 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.586 154.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.63 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -61.91 132.4 93.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.348 -171.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -63.99 171.3 7.63 Favored 'Trans proline' 0 C--N 1.358 1.065 0 N-CA-C 110.075 -0.779 . . . . 0.0 110.075 -157.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -119.89 109.57 15.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.273 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 88.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.349 -168.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.62 162.42 30.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.435 -177.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.71 -135.04 7.41 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 170.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.6 t -97.43 127.69 43.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.518 0.675 . . . . 0.0 110.335 169.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -81.2 -24.97 37.1 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.828 -173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.67 -47.48 13.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.506 -166.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 p -95.78 -25.93 15.87 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.585 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.51 -24.2 30.67 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -77.55 142.66 38.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.359 -0.421 . . . . 0.0 110.393 -169.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -99.73 98.62 9.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.422 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -172.7 -65.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -170.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.5 p-80 -109.68 170.71 7.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.371 0.605 . . . . 0.0 110.435 -171.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -114.23 160.9 18.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.405 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpt -61.85 -30.41 70.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.354 -171.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -17.63 55.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.505 175.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -107.62 -30.16 8.76 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.459 174.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.3 t -64.12 121.62 14.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.422 -174.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 t -133.91 27.24 3.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.455 169.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.51 20.54 6.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.385 167.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 61.35 106.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.446 -169.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.6 -45.53 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.442 171.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.58 97.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.38 171.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 C--O 1.24 0.572 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.367 169.374 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 121.22 0.533 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 69.02 -72.29 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.42 -171.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -88.69 120.83 30.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.336 169.232 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.98 -82.03 0.05 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 169.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -66.86 127.02 30.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.351 -0.425 . . . . 0.0 110.313 169.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.0 -174.82 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.321 169.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.3 138.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.369 169.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -170.91 120.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.379 169.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 67.64 158.45 0.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.406 -170.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' CD ' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -169.03 29.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.424 -170.364 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -114.43 -69.58 0.85 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.485 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -87.23 161.93 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.478 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.73 HD12 HG21 ' A' ' 24' ' ' ILE . 14.5 pt -93.13 70.61 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.567 -161.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 173.02 1.1 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.048 162.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t -93.27 121.33 34.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.793 -162.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -71.34 -19.4 62.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.555 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -92.12 -51.27 5.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.479 0.656 . . . . 0.0 109.943 -157.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.42 -31.36 16.86 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.725 172.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.61 -23.81 16.78 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 159.59 12.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.014 0.435 . . . . 0.0 110.492 -168.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.51 95.86 5.47 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.513 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.96 -63.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -171.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -108.82 -177.27 3.27 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.877 -0.661 . . . . 0.0 110.341 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.73 HG21 HD12 ' A' ' 13' ' ' ILE . 32.8 pt -115.6 169.68 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.655 -175.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.87 -21.21 25.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.065 -167.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -22.76 62.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.817 170.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -123.78 29.61 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.549 -169.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 22.8 t -103.89 97.1 7.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.798 -168.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 0.9 OUTLIER -97.18 65.11 1.98 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 122.535 1.159 . . . . 0.0 109.817 157.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -64.71 138.82 97.58 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.767 -176.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.61 -170.36 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 N-CA-C 109.815 -0.879 . . . . 0.0 109.815 -160.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.94 72.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.477 166.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 79.65 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.046 174.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ptt85 -175.36 143.02 0.63 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.431 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -128.88 -127.8 3.0 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 164.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 t -103.54 109.93 21.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.372 -0.414 . . . . 0.0 110.184 164.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -95.17 19.69 10.22 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.231 -176.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 -70.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.066 166.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.9 p -73.73 -42.4 61.22 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.504 -175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.49 30.98 3.61 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -122.83 172.69 8.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 114.924 -0.638 . . . . 0.0 110.364 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.01 96.19 4.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.408 -169.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.48 49.52 0.03 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 166.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 179.37 -179.9 0.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.151 167.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.16 176.7 7.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.419 169.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.64 85.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.503 -168.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -20.03 63.72 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.45 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.94 -25.87 13.63 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.499 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.45 117.25 7.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.422 -168.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.06 22.93 4.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.339 168.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 58.55 -87.96 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.395 -169.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.94 163.65 37.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.378 170.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -132.18 -176.56 4.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.365 -169.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.52 -175.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.341 169.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--O 1.24 0.566 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.367 169.436 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 mtt . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 121.205 0.526 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 61.85 -166.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.321 170.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 65.52 -78.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.535 171.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.02 -167.17 17.16 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -162.94 -174.98 4.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.323 -0.439 . . . . 0.0 110.366 -169.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.84 -80.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.348 169.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 61.58 86.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.465 168.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -111.03 133.85 53.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.346 -170.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.03 161.66 22.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.332 169.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -144.55 100.63 3.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.371 -169.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.26 138.06 41.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.275 167.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -127.31 54.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.972 -164.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -89.47 150.1 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.382 -174.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -116.73 126.44 53.14 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.278 -166.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.1 t -62.32 135.44 57.46 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.713 163.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -26.76 68.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.025 -1.443 . . . . 0.0 110.592 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -99.1 -58.47 1.93 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.867 -159.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -90.54 -27.56 19.09 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.992 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.78 -29.9 10.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.1 158.92 15.58 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.875 -0.663 . . . . 0.0 110.364 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -90.78 144.28 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.275 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.38 25.16 6.78 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 160.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -166.56 155.34 10.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.51 . . . . 0.0 110.341 159.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.1 pt -93.05 166.52 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.128 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.45 -23.3 46.63 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.082 -162.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -59.7 -29.26 67.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.654 168.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -112.95 34.2 4.58 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.495 -172.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 30.6 t -92.68 97.58 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.755 -170.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.52 68.56 1.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.308 151.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -59.45 145.0 83.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.104 -167.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -62.78 167.94 11.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 N-CA-C 110.124 -0.76 . . . . 0.0 110.124 -155.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -123.43 -163.79 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.072 168.689 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -97.03 25.67 5.23 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.8 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -142.8 114.53 8.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.251 164.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.03 -167.08 15.28 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.444 -1.063 . . . . 0.0 110.444 168.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.9 t -70.12 129.23 38.85 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.323 -0.438 . . . . 0.0 110.334 170.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -63.37 -30.28 71.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.943 175.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HB2' ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -81.22 -68.8 0.66 Allowed 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.065 -171.214 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.62 -25.83 17.34 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.793 -168.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.94 24.13 58.38 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 174.89 6.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.368 -0.416 . . . . 0.0 110.222 167.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -118.2 100.68 7.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.331 -169.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.62 49.27 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 165.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' CYS . 8.9 p-80 -178.83 -176.72 0.47 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.404 -0.398 . . . . 0.0 110.164 164.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -128.79 170.99 12.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.443 ' HG2' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -61.72 -35.04 76.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.445 -170.324 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE3' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.76 -16.74 52.11 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.614 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.9 35.04 1.25 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 44' ' ' HIS . 6.4 t -61.73 115.68 4.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.356 165.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.9 t -97.95 28.8 3.74 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.438 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -23.15 64.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.439 166.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.94 -166.53 1.74 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.282 167.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 69.83 -165.96 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.399 168.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.78 159.76 0.06 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.349 -166.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--O 1.24 0.555 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.277 -168.196 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 mtm . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.408 0.623 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 69.42 -65.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.411 -171.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 64.5 114.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.329 -169.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.99 136.02 3.81 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 169.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -173.11 84.86 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.369 -0.415 . . . . 0.0 110.279 -170.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.48 133.0 44.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.266 -166.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.719 ' NH2' HD12 ' A' ' 13' ' ' ILE . 8.0 mtp180 -136.31 -81.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.251 166.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.4 t30 61.33 82.47 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.495 166.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' HG2' ' HB ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -179.5 174.9 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.339 173.864 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -147.0 30.3 0.96 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.496 167.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.639 ' O ' HD13 ' A' ' 12' ' ' ILE . 21.7 mttp -163.49 22.13 0.08 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.626 172.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 11' ' ' LYS . 9.5 mm -138.5 172.74 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.182 167.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.719 HD12 ' NH2' ' A' ' 7' ' ' ARG . 4.2 tp -160.46 84.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.483 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 176.11 9.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.302 167.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.3 t -100.34 126.27 46.67 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.666 -165.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -21.63 62.08 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.57 -1.196 . . . . 0.0 111.276 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -91.72 -49.81 6.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.303 0.573 . . . . 0.0 109.92 -156.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.32 -37.9 9.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.833 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.51 -32.09 4.61 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.546 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -61.11 175.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.245 -0.478 . . . . 0.0 110.534 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -115.52 -24.29 8.4 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.433 -165.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.3 -22.92 61.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -166.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -144.42 177.76 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.112 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.52 HG22 HG13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.75 165.57 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.855 -172.301 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.96 -27.85 26.22 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.077 -163.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -23.32 63.28 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.869 171.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -99.38 -19.47 16.98 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.365 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 21.1 t -87.05 119.0 26.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.095 -158.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.34 45.04 1.05 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.121 169.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -57.38 138.5 80.99 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.364 171.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -65.58 113.75 2.63 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 N-CA-C 109.652 -0.942 . . . . 0.0 109.652 -163.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.17 74.58 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.288 162.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -91.95 -25.27 18.96 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.35 175.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' NE ' ' HA3' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -97.74 131.29 44.4 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.205 -163.603 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.44 -27.21 13.56 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 160.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -97.67 122.89 41.28 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.33 -0.435 . . . . 0.0 109.981 161.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -90.58 25.89 2.17 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.756 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.62 -57.85 2.08 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.071 175.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' HB3' ' HG3' ' A' ' 51' ' ' GLU . 22.1 p -97.2 -41.67 8.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.559 -175.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA3' ' NE ' ' A' ' 34' ' ' ARG . . . 109.98 28.4 4.19 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.549 -178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 175.81 6.8 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.339 170.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.32 -24.83 12.17 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.646 -165.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -59.7 0.85 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -161.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -85.54 -179.97 7.01 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 122.495 -0.415 . . . . 0.0 110.395 -161.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -119.43 -177.13 3.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.49 168.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.418 ' H ' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -61.21 -28.23 68.99 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.245 -172.415 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -62.04 -23.61 66.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.476 -171.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.01 22.89 6.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.188 -172.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.98 127.35 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.452 -170.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.2 p -59.61 -18.55 42.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.117 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 39' ' ' CYS . 13.0 mt-10 -94.46 46.44 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.424 168.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -88.45 85.57 6.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.392 168.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.32 70.85 1.27 Allowed 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.429 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.53 177.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.331 -169.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--O 1.239 0.551 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.373 -170.11 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtm . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 121.134 0.492 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -121.97 119.79 32.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.362 -170.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.412 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 61.73 30.07 18.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.398 -171.548 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.86 125.91 3.61 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.431 -1.067 . . . . 0.0 110.431 169.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -65.47 -167.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.386 -0.407 . . . . 0.0 110.391 170.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -68.86 82.18 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.345 -169.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -146.65 -176.39 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.374 -169.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 69.66 141.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.409 169.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.96 -167.02 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.371 169.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.72 -175.13 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.325 -169.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.42 110.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.496 -168.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.24 -52.14 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.893 -172.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -158.1 119.71 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.386 -167.726 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.3 168.72 25.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.448 168.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.0 t -62.74 125.8 25.19 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.988 171.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.53 -20.13 61.4 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.379 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.46 -51.55 4.72 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.357 0.599 . . . . 0.0 109.917 -156.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -87.96 -24.59 23.52 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.572 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.67 -33.16 6.79 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 171.62 11.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.52 -168.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' HB3' ' A' ' 3' ' ' ARG . 4.8 pt-20 -119.65 141.65 49.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.433 -171.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.26 22.6 4.8 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.712 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -178.78 164.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 0.0 110.027 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 pt -102.11 166.89 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.716 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.2 -15.01 52.17 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.325 -165.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -31.74 71.53 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.489 174.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -111.49 26.69 10.4 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.57 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' A' ' 30' ' ' ALA . 23.8 t -102.5 90.96 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.752 -171.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 64.9 4.96 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.379 1.085 . . . . 0.0 109.774 158.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' SG ' ' A' ' 28' ' ' CYS . . . -65.36 141.75 98.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.8 -174.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -63.76 166.72 15.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 N-CA-C 110.12 -0.761 . . . . 0.0 110.12 -158.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -135.07 -174.84 3.72 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.371 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.03 -177.98 4.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.433 -171.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.22 -166.68 1.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.275 -168.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.56 -93.52 0.12 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.4 t -61.6 117.83 6.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.254 -0.473 . . . . 0.0 110.31 169.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -25.28 68.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.703 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.65 -65.78 0.94 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.076 -170.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.1 p -93.01 -18.7 22.37 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.735 -165.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.32 24.2 66.39 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -100.25 174.46 6.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.397 -0.401 . . . . 0.0 110.237 168.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -120.03 105.39 10.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.364 -167.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.89 52.81 0.26 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 164.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -177.77 176.31 1.23 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.5 -0.35 . . . . 0.0 110.096 162.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -120.58 179.04 4.45 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 114.218 -1.355 . . . . 0.0 110.393 171.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.58 -27.18 69.01 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.507 -175.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -61.88 -16.56 51.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.468 -170.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.55 30.8 1.7 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.549 176.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -98.52 126.22 44.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.313 172.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 50' ' ' THR . 24.7 m -139.57 22.62 2.51 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.646 165.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 57.27 20.3 5.67 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.395 168.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.75 -171.57 2.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.406 -166.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.13 24.25 12.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.37 -169.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -136.36 32.26 2.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.26 169.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.241 0.61 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.328 169.412 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 mmt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.401 0.62 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.96 38.8 0.26 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.421 172.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.54 -176.48 4.35 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.461 177.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.23 89.16 2.09 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -169.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -166.35 164.39 17.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.355 -0.423 . . . . 0.0 110.332 -169.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.86 106.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.315 169.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.43 98.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.447 169.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -170.11 -45.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.353 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 69.03 -172.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.386 169.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.92 -177.22 3.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.349 -169.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -65.14 103.2 0.73 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.383 -169.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.933 HG23 HG23 ' A' ' 13' ' ' ILE . 11.7 tt -157.57 -44.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.454 169.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.933 HG23 HG23 ' A' ' 12' ' ' ILE . 2.0 pp -92.9 121.43 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.41 -166.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 179.02 108.45 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.507 178.178 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 t -62.4 133.7 55.41 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.779 161.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -67.01 -23.11 65.88 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.331 -177.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -100.31 -55.79 2.52 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.433 0.635 . . . . 0.0 110.058 -158.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.8 p -90.56 -30.31 17.32 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.648 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.43 -25.58 27.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 153.45 28.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.352 170.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -79.29 -159.09 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.338 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.49 -34.17 5.49 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 169.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -153.39 165.57 35.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.281 0.562 . . . . 0.0 110.416 -168.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.793 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -98.95 165.91 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.611 177.031 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.6 -26.95 29.56 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.226 -163.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.02 -29.62 70.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.374 167.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -102.15 32.47 3.48 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 t -111.45 124.2 51.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.952 -176.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -122.35 43.2 2.95 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.022 164.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.37 139.09 84.93 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 114.647 -1.161 . . . . 0.0 111.196 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -65.79 108.15 1.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 -164.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -35.93 6.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.325 165.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.85 124.08 30.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.43 169.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.43 -177.49 3.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.369 -170.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.43 -155.9 7.45 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -168.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.0 t -120.99 128.73 52.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.401 -0.4 . . . . 0.0 110.167 -167.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -30.06 68.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 114.558 -1.201 . . . . 0.0 111.123 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -70.05 0.45 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.929 -172.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -89.61 -14.88 34.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.834 -169.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.59 23.78 72.27 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.87 162.3 13.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.428 -0.386 . . . . 0.0 110.351 168.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -110.29 94.91 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.436 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.84 50.24 0.04 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 166.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 48' ' ' ASP . 2.3 p-80 -178.4 171.1 1.64 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 122.601 -0.352 . . . . 0.0 110.107 161.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.01 -175.08 2.85 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 113.403 -1.726 . . . . 0.0 110.136 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 tpt -61.19 -36.2 79.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.484 171.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -78.52 -25.68 45.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.582 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' CB ' ' HB2' ' A' ' 44' ' ' HIS . 16.2 m-20 -103.16 26.5 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.39 171.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t -80.41 151.27 29.45 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.089 170.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.1 t -58.65 -19.07 35.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.05 162.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 57.25 -159.29 0.25 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.171 162.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -137.96 104.17 5.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.302 165.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.5 -177.41 3.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.357 -168.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.3 -47.03 0.99 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.216 -169.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--O 1.24 0.557 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.73 -178.768 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_