data_2em1_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 2em1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 55.8 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.71 4.53 2.11 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.6 110.38 10.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -134.11 146.66 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.75 158.59 28.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -35.01 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.63 -67.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -98.5 -35.41 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.5 118.95 4.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 28.7 tttp -174.08 172.43 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -129.88 157.62 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.459 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 99.1 m-85 -158.41 141.29 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -75.12 -39.26 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.8 154.31 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.1 ttmt -59.49 -58.38 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.5 p -39.93 -55.12 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -48.68 -36.68 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' A' ' 20' ' ' PHE . 54.5 tp -76.17 -37.09 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.97 -39.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.91 -45.78 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.155 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.438 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.0 t60 -67.49 -26.47 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 46.1 mttm -75.98 -29.56 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.51 -27.92 35.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -62.93 -29.32 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' CD ' ' HB1' ' A' ' 19' ' ' ALA . 29.0 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.539 0.685 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.81 4.35 2.27 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.13 109.91 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.2 p -134.19 145.47 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.33 154.21 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -115.71 -36.56 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.74 -68.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.5 p -97.01 -36.27 10.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.63 116.85 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 33.5 tttp -174.21 171.7 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB1' ' CD ' ' A' ' 9' ' ' LYS . . . -128.21 158.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.1 m-85 -157.25 139.56 14.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -75.49 -39.5 58.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.11 151.74 27.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 30.7 tttm -59.1 -60.79 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LYS . 32.8 t -36.71 -54.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -48.23 -40.39 24.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' LYS . 52.2 tp -73.36 -30.07 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.2 mm -70.49 -35.8 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.74 -40.64 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -72.45 -28.38 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -74.56 -31.8 62.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.64 -30.35 34.79 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -57.04 -34.07 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.388 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 14.0 mttp . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.79 4.4 2.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.65 110.12 10.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 p -133.07 145.66 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.32 156.33 29.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.8 -35.74 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.94 -67.77 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 p -100.67 -37.55 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.35 118.72 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' CG ' ' H ' ' A' ' 19' ' ' ALA . 30.7 tttm -174.57 172.77 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -127.45 159.86 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 26' ' ' LEU . 98.9 m-85 -160.11 144.14 14.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -79.96 -37.58 34.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.99 154.74 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' LEU . 31.4 tptt -57.5 -65.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' LYS . 11.9 p -34.29 -45.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.06 -45.24 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 20' ' ' PHE . 50.9 tp -70.96 -30.4 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.0 mm -64.81 -43.95 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.93 -42.66 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 11.7 t60 -71.52 -29.16 64.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -72.18 -30.63 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 -25.83 56.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -62.24 -25.88 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 38.5 mttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.567 0.699 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.75 4.09 2.39 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.79 109.79 9.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -133.53 137.21 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.64 161.65 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.32 -36.76 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.93 -69.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.0 p -96.06 -39.58 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.7 118.38 3.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.498 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 26.8 tttp -174.13 170.12 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -124.99 159.35 31.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' HD13 ' A' ' 26' ' ' LEU . 97.2 m-85 -159.65 143.57 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 m -82.09 -31.89 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -124.9 154.35 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -57.88 -61.45 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LYS . 28.4 m -35.81 -53.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -52.85 -39.68 62.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 20' ' ' PHE . 42.4 tp -72.86 -30.97 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.9 mm -65.6 -43.22 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.39 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.405 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 11.6 t60 -75.25 -28.08 59.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -75.59 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.24 49.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 m -54.11 -38.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 37.7 mttt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.617 0.722 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 4.5 2.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -129.6 110.06 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 p -132.03 149.23 52.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.69 156.36 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -117.21 -37.19 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.25 -67.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 p -100.9 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.61 121.32 4.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 29.3 tttt -175.0 173.69 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.71 159.57 36.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CD1' HD13 ' A' ' 26' ' ' LEU . 95.3 m-85 -161.32 141.71 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -77.82 -32.04 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -120.31 152.72 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 3.9 ttmt -60.35 -56.35 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -41.2 -55.05 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -50.3 -35.01 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 20' ' ' PHE . 51.8 tp -76.53 -36.09 57.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.3 mm -63.47 -41.23 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.93 -41.15 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 10.6 t60 -73.27 -25.59 60.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -76.92 -23.57 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.52 -24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 2.7 m -62.87 -25.54 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 14.6 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 40.1 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.562 0.696 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.42 108.49 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 m -133.79 134.89 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.91 158.59 30.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -119.43 -36.58 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.61 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 p -93.31 -39.53 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.92 116.56 3.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -174.24 170.88 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -125.29 158.57 33.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD2' HD13 ' A' ' 26' ' ' LEU . 94.2 m-85 -157.82 138.86 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -75.91 -39.31 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -115.12 146.55 41.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 1.8 tppp? -53.26 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.2 t -33.77 -54.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -48.79 -43.49 38.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 20' ' ' PHE . 55.4 tp -72.97 -35.3 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 16.0 mm -60.69 -38.19 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.6 t -71.45 -46.54 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -64.35 -26.78 68.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 37.9 mttm -74.19 -28.91 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.62 50.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 m -60.92 -32.12 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 26.5 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.14 109.68 9.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -134.61 135.08 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.68 160.4 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.26 -37.91 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.22 -66.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 p -98.8 -37.08 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.4 118.93 3.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 32.8 tttt -174.34 172.49 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -127.26 157.98 38.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 26' ' ' LEU . 98.8 m-85 -158.32 141.53 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -78.52 -31.92 47.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.91 149.3 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' LEU . 1.6 tppp? -53.65 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' LYS . 65.0 m -34.31 -56.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -48.26 -41.86 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 20' ' ' PHE . 51.5 tp -72.58 -39.39 67.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 11.4 mm -57.82 -40.97 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.54 -46.78 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 8.3 t60 -67.22 -27.07 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -75.35 -32.76 60.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.04 -32.91 28.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -57.1 -35.02 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 23.3 mttm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.76 4.41 2.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.0 m-85 -131.29 110.86 11.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.6 p -131.58 157.45 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.459 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 31.4 t -86.34 158.86 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -118.19 -32.6 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.72 -72.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.2 p -100.07 -13.85 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.37 127.5 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.569 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 26.7 tttp -175.0 173.71 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -131.95 155.12 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 94.6 m-85 -158.99 141.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -77.43 -37.05 52.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -111.01 152.77 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 12.0 tttp -61.83 -60.5 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 p -38.92 -48.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.28 -39.55 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' LYS . 41.3 tp -74.01 -35.03 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.1 -41.31 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.97 -42.92 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.535 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 14.3 t60 -70.29 -29.72 66.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -71.72 -24.3 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.42 -29.45 71.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -61.23 -24.63 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 24.5 mttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.69 4.36 2.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.328 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -128.83 108.45 10.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 p -129.17 151.42 49.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.59 156.32 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.2 -35.16 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.8 -68.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.21 -37.84 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 119.84 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 46.1 tttt -175.22 174.42 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -132.63 156.51 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.47 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 91.9 m-85 -156.47 142.13 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.8 m -70.95 -45.26 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -110.97 159.05 18.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 20.4 ttmt -64.42 -56.78 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 p -41.51 -46.78 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -56.48 -35.86 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' LYS . 49.2 tp -76.67 -37.78 55.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.1 mm -57.94 -41.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.23 -45.78 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.497 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 7.9 t60 -67.2 -26.22 66.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -73.6 -31.49 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.03 -38.01 37.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 m -50.04 -33.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.523 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 9.2 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 69.7 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.83 4.92 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.59 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.8 m-85 -130.12 111.17 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 p -129.05 161.69 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.5 t -89.05 161.14 16.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.0 m-20 -119.13 -33.78 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 8.3 mm-40 -60.63 -72.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.23 -14.52 18.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 127.55 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 18.5 tttp -175.16 174.58 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -129.47 156.35 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.3 m-85 -157.39 140.52 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 9.4 m -77.57 -36.3 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -116.18 148.46 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 9.2 tttp -55.16 -61.19 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.2 p -40.03 -50.24 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -52.44 -37.65 57.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 20' ' ' PHE . 42.4 tp -75.95 -37.17 58.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.2 mm -60.64 -41.1 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.1 -43.07 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 9.2 t60 -70.39 -31.33 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -70.03 -28.38 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.5 -26.7 57.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' CE1' ' A' ' 33' ' ' HIS . 5.2 m -61.62 -25.66 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 22.3 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 30.6 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.523 0.678 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.0 Cg_endo -69.84 4.92 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.12 109.47 10.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.46 149.13 52.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 25.2 t -78.35 162.0 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 m-80 -123.35 -24.51 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 mm-40 -70.36 -71.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.66 -15.94 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.73 123.36 2.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -175.0 173.22 2.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -128.53 157.56 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.3 m-85 -157.24 140.32 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -76.03 -37.88 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -118.71 151.1 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 2.6 ttmm -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.1 t -37.29 -55.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -48.96 -38.94 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' LYS . 39.3 tp -76.36 -31.47 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.48 -40.0 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t -67.74 -45.14 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 7.9 t60 -67.96 -29.79 68.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -72.16 -24.55 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.94 -36.27 79.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 m -54.92 -24.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.7 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 58.7 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 4.61 2.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.26 110.3 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -128.62 162.38 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.1 t -95.16 154.56 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -111.85 -41.39 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 5.1 mm-40 -49.29 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.24 -14.23 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.17 129.24 3.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 28.8 tttp -174.97 174.24 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -133.01 153.38 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 94.7 m-85 -156.9 140.18 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.6 m -73.78 -31.5 63.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -122.28 155.65 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.0 ttmt -62.52 -58.94 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 m -38.31 -52.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -52.38 -38.42 58.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LYS . 45.2 tp -74.3 -36.02 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 mm -61.3 -37.72 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.55 -46.03 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.1 t60 -69.28 -26.97 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -72.1 -29.2 63.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.53 -34.75 55.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -54.1 -31.96 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.474 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' CD ' ' HB1' ' A' ' 19' ' ' ALA . 14.7 mttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.77 4.51 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.1 m-85 -131.61 110.66 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.4 p -130.26 157.65 41.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.0 t -90.05 152.38 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -110.07 -42.08 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -47.95 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -101.61 -15.11 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.92 129.14 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 31.1 tttp -175.01 174.87 2.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.89 155.17 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.6 m-85 -159.65 143.36 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.7 m -75.46 -39.6 58.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -115.62 153.17 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.6 ttmt -58.01 -60.79 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' LYS . 83.1 p -37.26 -48.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -53.61 -41.64 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 20' ' ' PHE . 56.2 tp -73.85 -36.73 64.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.14 -39.71 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -45.21 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.461 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 13.3 t60 -70.04 -28.0 65.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -70.89 -32.65 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.59 -32.33 31.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.3 -26.78 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 24.6 mttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.74 4.57 2.11 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.4 m-85 -132.19 109.21 9.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -132.45 148.58 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 23.1 t -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 m-80 -123.26 -29.42 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.27 -71.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -97.6 -14.91 20.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.03 123.97 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' NZ ' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tttm -175.12 173.2 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -130.71 157.11 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' NZ ' ' A' ' 18' ' ' LYS . 97.8 m-85 -158.04 140.83 14.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.7 m -75.41 -31.51 60.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -123.58 162.23 23.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.1 ttmt -66.55 -57.47 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 p -40.35 -55.45 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.14 -35.25 25.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 20' ' ' PHE . 44.5 tp -76.74 -36.73 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.27 -41.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.38 -42.26 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.456 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.7 t60 -71.17 -30.83 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -70.03 -24.8 63.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.74 -35.53 82.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 m -53.24 -26.55 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.153 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' CD ' ' HB1' ' A' ' 19' ' ' ALA . 18.9 mttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.519 0.676 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.72 4.43 2.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.4 m-85 -130.67 110.96 11.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 p -130.24 157.88 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.2 t -87.12 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.552 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -107.23 -11.89 15.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.08 -69.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 4.8 p -97.61 -16.6 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.39 118.86 1.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' CG ' ' H ' ' A' ' 19' ' ' ALA . 18.9 tttp -175.12 173.9 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB1' ' CD ' ' A' ' 9' ' ' LYS . . . -127.36 157.07 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CD1' HD11 ' A' ' 26' ' ' LEU . 97.3 m-85 -157.85 139.39 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.0 m -74.03 -38.6 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.55 151.92 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.6 ttpm? -60.99 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LYS . 60.8 p -37.92 -50.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.33 -38.79 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 20' ' ' PHE . 62.6 tp -72.7 -37.35 67.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 mm -60.42 -41.98 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -67.81 -43.37 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -70.92 -26.3 63.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -74.54 -33.67 62.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.03 45.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.46 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 3.6 m -59.08 -26.66 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 15.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 51.7 mttt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.542 0.687 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.71 108.01 8.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -130.27 150.3 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.47 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 21.4 t -81.67 159.38 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.412 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.2 m-80 -120.37 -34.94 3.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.28 -72.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.5 -14.52 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.37 126.43 2.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.568 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 tttp -175.06 174.2 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB1' ' CD ' ' A' ' 9' ' ' LYS . . . -134.38 154.43 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 97.7 m-85 -157.57 145.28 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -78.68 -42.04 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.46 162.84 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.4 ttmt -70.04 -59.58 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -41.85 -43.73 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -57.61 -37.03 72.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' LYS . 35.6 tp -74.74 -30.93 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 mm -70.31 -35.5 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.9 -41.43 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.472 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 13.2 t60 -77.62 -30.19 52.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -70.7 -32.09 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.76 -28.77 39.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 HG22 ' CE1' ' A' ' 33' ' ' HIS . 5.9 m -60.93 -27.21 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.415 ' CE1' HG22 ' A' ' 32' ' ' VAL . 23.2 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 41.9 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.517 0.675 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.77 4.58 2.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 62.4 m-85 -133.18 108.28 8.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.89 148.18 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.794 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 15.0 t -78.02 162.23 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.469 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.8 m-80 -121.53 -33.46 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 3.6 mm-40 -58.3 -72.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -99.47 -18.12 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.73 124.96 3.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' CG ' ' H ' ' A' ' 19' ' ' ALA . 28.2 tttm -175.14 173.84 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -127.66 157.0 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 95.6 m-85 -157.98 143.91 17.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -80.96 -35.05 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -122.99 150.09 43.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' LEU . 5.8 tptp -52.57 -61.3 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' LYS . 58.2 p -34.26 -59.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -47.2 -40.21 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 36.6 tp -72.14 -27.87 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mm -69.94 -45.4 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.75 -38.56 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -76.18 -35.04 59.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -67.88 -21.58 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.92 -37.03 93.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -52.6 -29.55 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.458 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 28.2 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 44.5 mttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.72 4.61 2.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 63.7 m-85 -133.22 110.15 9.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -131.77 141.7 49.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.0 t -69.16 162.01 27.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.2 m-20 -123.45 -33.1 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -60.48 -72.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -97.88 -14.96 20.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.88 124.52 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 35.1 tttt -174.83 172.09 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -129.76 154.12 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.5 m-85 -155.44 138.74 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.408 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.3 m -76.15 -34.69 59.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -114.37 145.39 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 27.5 tttt -55.96 -61.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -41.55 -43.62 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.79 -37.53 73.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' LYS . 7.1 tp -76.24 -47.69 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 ' N ' ' A' ' 27' ' ' ILE . 2.5 mm -51.03 -42.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.8 t -63.06 -44.58 99.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.548 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 9.0 t60 -69.61 -26.25 64.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -70.94 -28.86 64.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -36.61 72.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.13 -30.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.558 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 22.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 21.5 mttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.75 4.32 2.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.8 m-85 -130.58 110.96 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -128.91 158.85 37.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -94.99 152.26 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -109.75 -41.84 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -46.77 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.3 p -101.86 -18.31 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 127.4 4.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CG ' ' H ' ' A' ' 19' ' ' ALA . 26.1 tttp -175.29 175.27 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -132.2 155.99 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 26' ' ' LEU . 99.6 m-85 -159.04 146.33 17.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -80.47 -41.3 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 156.49 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.6 -64.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' LYS . 53.2 p -34.04 -56.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.06 -42.65 29.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.0 tp -72.85 -32.94 65.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.41 -40.97 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.25 -42.0 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.419 ' ND1' ' HD3' ' A' ' 18' ' ' LYS . 17.4 t60 -73.14 -31.65 64.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -70.01 -27.51 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.67 -30.69 59.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.99 -25.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' CD ' ' HB1' ' A' ' 19' ' ' ALA . 46.0 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.76 4.34 2.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.7 m-85 -132.54 110.24 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -129.53 151.68 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 10.0 t -83.08 154.71 24.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -111.76 -44.4 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.6 mm-40 -45.27 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.8 p -100.48 -15.09 18.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.07 128.45 3.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 15.5 tttp -175.27 175.1 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB1' ' CD ' ' A' ' 9' ' ' LYS . . . -130.35 155.96 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 m-85 -157.51 138.98 13.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -76.31 -34.17 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -117.37 146.46 43.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 10.8 tttp -54.62 -58.45 7.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -42.97 -52.56 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.46 -35.24 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 20' ' ' PHE . 16.9 tp -76.47 -51.5 11.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 HD12 ' CE ' ' A' ' 30' ' ' LYS . 2.9 mm -49.12 -41.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.95 -43.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.443 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 7.5 t60 -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' CE ' HD12 ' A' ' 27' ' ' ILE . 37.9 mtmt -69.9 -31.87 69.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.43 -35.73 61.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 m -49.71 -26.4 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.106 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.1 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -94.11 94.95 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -147.62 129.54 15.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.85 -57.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -50.8 125.3 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -142.47 127.35 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.59 -94.59 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -140.65 131.82 26.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 55.8 mttt -141.21 114.45 6.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.71 4.53 2.11 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.6 110.38 10.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -134.11 146.66 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.75 158.59 28.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -35.01 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.63 -67.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -98.5 -35.41 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.5 118.95 4.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 28.7 tttp -174.08 172.43 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -129.88 157.62 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.459 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 99.1 m-85 -158.41 141.29 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -75.12 -39.26 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.8 154.31 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.1 ttmt -59.49 -58.38 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.5 p -39.93 -55.12 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -48.68 -36.68 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' A' ' 20' ' ' PHE . 54.5 tp -76.17 -37.09 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.0 mm -59.97 -39.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.91 -45.78 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.155 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.438 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.0 t60 -67.49 -26.47 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 46.1 mttm -75.98 -29.56 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.51 -27.92 35.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -62.93 -29.32 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -91.02 -63.03 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -62.7 125.83 25.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.54 86.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 m -83.54 19.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -149.02 143.94 17.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -1.37 8.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.9 m -76.35 55.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 43.66 -158.28 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.58 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.277 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.2 p -38.99 -53.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.6 m -117.28 168.33 10.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.498 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -50.1 123.73 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -155.11 148.79 25.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.06 -167.27 26.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -158.86 167.31 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -126.55 87.46 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.56 118.36 1.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.91 148.19 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.94 0.4 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' CD ' ' HB1' ' A' ' 19' ' ' ALA . 29.0 mttt -97.9 115.32 65.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.539 0.685 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.81 4.35 2.27 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.13 109.91 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.2 p -134.19 145.47 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.33 154.21 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -115.71 -36.56 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.74 -68.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.5 p -97.01 -36.27 10.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.63 116.85 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 33.5 tttp -174.21 171.7 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB1' ' CD ' ' A' ' 9' ' ' LYS . . . -128.21 158.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.1 m-85 -157.25 139.56 14.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -75.49 -39.5 58.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.11 151.74 27.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 30.7 tttm -59.1 -60.79 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LYS . 32.8 t -36.71 -54.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -48.23 -40.39 24.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' LYS . 52.2 tp -73.36 -30.07 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.2 mm -70.49 -35.8 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.74 -40.64 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -72.45 -28.38 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -74.56 -31.8 62.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.64 -30.35 34.79 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -57.04 -34.07 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.388 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -87.5 -61.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 t -72.11 107.14 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.97 -161.09 35.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.63 146.53 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 20.3 ttmm -141.06 139.61 19.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.77 162.98 39.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.368 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 t -84.73 143.66 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.98 -158.65 7.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 81.16 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.292 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.4 p 41.12 39.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 m -93.16 81.38 4.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.505 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -163.75 168.87 19.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -50.44 164.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.89 176.91 28.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -146.64 114.17 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -110.62 95.19 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.72 162.97 23.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -98.49 133.18 43.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 14.0 mttp -110.38 115.51 54.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.79 4.4 2.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.65 110.12 10.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 p -133.07 145.66 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.32 156.33 29.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.8 -35.74 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.94 -67.77 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 p -100.67 -37.55 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.35 118.72 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' CG ' ' H ' ' A' ' 19' ' ' ALA . 30.7 tttm -174.57 172.77 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -127.45 159.86 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 26' ' ' LEU . 98.9 m-85 -160.11 144.14 14.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -79.96 -37.58 34.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.99 154.74 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 26' ' ' LEU . 31.4 tptt -57.5 -65.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' LYS . 11.9 p -34.29 -45.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.06 -45.24 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 20' ' ' PHE . 50.9 tp -70.96 -30.4 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.0 mm -64.81 -43.95 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.93 -42.66 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 11.7 t60 -71.52 -29.16 64.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -72.18 -30.63 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 -25.83 56.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -62.24 -25.88 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -95.27 -21.33 18.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 p -89.9 47.86 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.94 -68.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.78 119.26 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 18.5 ttpp -171.62 139.89 1.16 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.7 Cg_endo -69.76 87.8 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -111.13 78.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.16 145.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 122.14 8.81 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.332 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t 47.81 45.06 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.2 m -109.87 41.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.474 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 m 62.34 42.25 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -90.36 153.44 20.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.43 -123.46 5.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 p -100.31 146.03 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.364 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -95.84 93.31 6.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.01 -154.37 16.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -137.05 130.85 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 38.5 mttt -108.79 115.9 56.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.75 4.09 2.39 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.79 109.79 9.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -133.53 137.21 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.64 161.65 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.32 -36.76 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.93 -69.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.0 p -96.06 -39.58 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.7 118.38 3.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.498 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 26.8 tttp -174.13 170.12 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -124.99 159.35 31.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.561 ' CD2' HD13 ' A' ' 26' ' ' LEU . 97.2 m-85 -159.65 143.57 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 m -82.09 -31.89 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -124.9 154.35 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -57.88 -61.45 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LYS . 28.4 m -35.81 -53.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -52.85 -39.68 62.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 20' ' ' PHE . 42.4 tp -72.86 -30.97 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.9 mm -65.6 -43.22 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.39 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.405 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 11.6 t60 -75.25 -28.08 59.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -75.59 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.24 49.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 m -54.11 -38.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.158 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -84.47 -44.93 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.1 p -42.49 124.91 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.47 -82.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.71 133.71 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -142.61 148.3 46.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.569 0.699 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 87.84 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.373 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -54.83 140.51 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.75 169.28 36.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.15 64.25 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.7 p 38.15 42.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -59.06 135.46 57.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.473 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -106.23 -19.57 13.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -72.32 138.09 47.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.79 102.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -102.79 160.37 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -99.92 -59.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.76 -170.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -129.17 130.27 46.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 37.7 mttt -94.25 112.52 57.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 4.5 2.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -129.6 110.06 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 p -132.03 149.23 52.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.69 156.36 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -117.21 -37.19 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.25 -67.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 p -100.9 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.61 121.32 4.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 29.3 tttt -175.0 173.69 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.71 159.57 36.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.567 ' CD1' HD13 ' A' ' 26' ' ' LEU . 95.3 m-85 -161.32 141.71 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -77.82 -32.04 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -120.31 152.72 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 3.9 ttmt -60.35 -56.35 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -41.2 -55.05 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -50.3 -35.01 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 20' ' ' PHE . 51.8 tp -76.53 -36.09 57.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.3 mm -63.47 -41.23 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.93 -41.15 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 10.6 t60 -73.27 -25.59 60.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -76.92 -23.57 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.52 -24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 2.7 m -62.87 -25.54 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 14.6 m-70 -93.72 -41.78 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 p -54.75 117.32 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.19 -77.78 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.8 t -77.3 142.16 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.913 0.387 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -126.53 89.56 51.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.55 0.69 . . . . 0.0 110.933 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.73 31.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.616 2.211 . . . . 0.0 112.377 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -74.23 117.05 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.05 -168.79 19.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -47.32 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.2 p -95.04 136.61 35.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 m -96.83 125.29 41.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -129.68 138.86 51.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -84.66 -44.34 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.86 109.07 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -110.13 118.24 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.398 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -56.23 99.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.51 159.31 11.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -70.98 157.63 37.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.395 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 40.1 mttt -97.41 115.42 65.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.562 0.696 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.42 108.49 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 m -133.79 134.89 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.91 158.59 30.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -119.43 -36.58 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.61 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 p -93.31 -39.53 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.92 116.56 3.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -174.24 170.88 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -125.29 158.57 33.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD2' HD13 ' A' ' 26' ' ' LEU . 94.2 m-85 -157.82 138.86 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -75.91 -39.31 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -115.12 146.55 41.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HD3' ' CD2' ' A' ' 11' ' ' TYR . 1.8 tppp? -53.26 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.2 t -33.77 -54.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -48.79 -43.49 38.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 20' ' ' PHE . 55.4 tp -72.97 -35.3 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 16.0 mm -60.69 -38.19 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.6 t -71.45 -46.54 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -64.35 -26.78 68.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 37.9 mttm -74.19 -28.91 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.62 50.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 m -60.92 -32.12 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -90.0 -58.71 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -79.01 50.84 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.1 -78.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.99 143.09 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -128.89 143.53 49.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -175.3 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.631 2.22 . . . . 0.0 112.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.1 p -126.55 98.84 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 175.89 -158.32 25.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.7 Cg_endo -69.84 2.33 3.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' PRO . 12.3 t -34.58 133.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.7 p 50.79 42.22 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.501 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -136.0 143.37 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -122.44 161.65 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.24 122.05 5.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -164.61 119.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 m -130.54 99.85 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.29 102.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -49.34 133.94 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 26.5 mttt -125.71 114.54 24.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.14 109.68 9.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -134.61 135.08 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.68 160.4 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.26 -37.91 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.22 -66.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 p -98.8 -37.08 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.4 118.93 3.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 32.8 tttt -174.34 172.49 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -127.26 157.98 38.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 26' ' ' LEU . 98.8 m-85 -158.32 141.53 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -78.52 -31.92 47.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.91 149.3 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' LEU . 1.6 tppp? -53.65 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' LYS . 65.0 m -34.31 -56.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -48.26 -41.86 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 20' ' ' PHE . 51.5 tp -72.58 -39.39 67.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 11.4 mm -57.82 -40.97 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.54 -46.78 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 8.3 t60 -67.22 -27.07 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -75.35 -32.76 60.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.04 -32.91 28.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -57.1 -35.02 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -86.06 -27.33 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 p -87.3 48.7 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.29 47.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 p -138.48 147.81 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.5 141.29 39.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.544 0.688 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' GLY . 4.1 t -50.16 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.76 146.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.28 3.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -77.18 53.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -133.23 73.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.465 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -50.75 -47.27 59.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -40.88 140.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.81 39.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -89.23 99.87 12.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -171.41 153.69 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.11 -173.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -109.8 144.97 37.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 23.3 mttm -91.51 116.2 65.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.76 4.41 2.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.0 m-85 -131.29 110.86 11.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.6 p -131.58 157.45 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.459 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 31.4 t -86.34 158.86 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -118.19 -32.6 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.72 -72.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.2 p -100.07 -13.85 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.37 127.5 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.569 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 26.7 tttp -175.0 173.71 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -131.95 155.12 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 94.6 m-85 -158.99 141.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -77.43 -37.05 52.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -111.01 152.77 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 12.0 tttp -61.83 -60.5 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 p -38.92 -48.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.28 -39.55 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' LYS . 41.3 tp -74.01 -35.03 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.1 -41.31 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.97 -42.92 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.535 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 14.3 t60 -70.29 -29.72 66.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -71.72 -24.3 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.42 -29.45 71.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -61.23 -24.63 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -95.47 -14.58 23.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.1 p -93.81 46.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.53 128.79 3.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.45 135.66 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 43.9 tttt -133.55 139.86 35.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.1 Cg_endo -69.78 87.45 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.2 p -130.95 41.33 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.18 -75.46 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 162.87 40.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.0 t -80.81 43.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m 50.07 41.98 24.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.486 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -104.43 113.64 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -55.13 -56.88 14.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.97 122.56 5.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.437 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -128.7 41.39 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -117.73 -45.08 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.57 178.01 48.47 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -125.1 138.47 54.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 24.5 mttp -113.02 114.43 48.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.69 4.36 2.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.328 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -128.83 108.45 10.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 p -129.17 151.42 49.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.59 156.32 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.2 -35.16 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.8 -68.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.21 -37.84 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 119.84 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 46.1 tttt -175.22 174.42 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -132.63 156.51 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.47 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 91.9 m-85 -156.47 142.13 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.8 m -70.95 -45.26 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -110.97 159.05 18.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 20.4 ttmt -64.42 -56.78 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 p -41.51 -46.78 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -56.48 -35.86 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' LYS . 49.2 tp -76.67 -37.78 55.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.1 mm -57.94 -41.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.23 -45.78 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.497 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 7.9 t60 -67.2 -26.22 66.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -73.6 -31.49 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.03 -38.01 37.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 m -50.04 -33.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.523 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 9.2 m-70 -90.29 -54.2 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -85.12 43.04 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.95 -134.58 5.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.52 145.35 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.16 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -157.29 125.29 2.82 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.701 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 162.97 39.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.248 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -82.46 -60.52 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.34 157.08 3.29 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -46.25 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t 60.97 43.91 11.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -95.08 130.93 41.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.51 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.2 p -87.09 106.28 17.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -96.13 125.06 40.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.03 61.71 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.432 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 p -125.83 -30.55 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -89.89 175.98 7.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.39 -106.41 2.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -63.34 133.84 54.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 69.7 mttt -111.21 109.54 56.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.59 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.83 4.92 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.59 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.8 m-85 -130.12 111.17 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 p -129.05 161.69 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.5 t -89.05 161.14 16.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.0 m-20 -119.13 -33.78 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 8.3 mm-40 -60.63 -72.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.23 -14.52 18.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 127.55 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 18.5 tttp -175.16 174.58 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -129.47 156.35 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.3 m-85 -157.39 140.52 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.401 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 9.4 m -77.57 -36.3 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -116.18 148.46 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 9.2 tttp -55.16 -61.19 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.2 p -40.03 -50.24 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -52.44 -37.65 57.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 20' ' ' PHE . 42.4 tp -75.95 -37.17 58.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.2 mm -60.64 -41.1 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.1 -43.07 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 9.2 t60 -70.39 -31.33 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -70.03 -28.38 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 34' ' ' THR . . . -57.5 -26.7 57.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' CE1' ' A' ' 33' ' ' HIS . 5.2 m -61.62 -25.66 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 22.3 m-70 -99.29 -62.27 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.42 ' CG2' ' HA2' ' A' ' 31' ' ' GLY . 8.8 t -55.66 -25.59 40.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 34' ' ' THR . . . -55.94 -64.56 4.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 9.7 p -35.89 146.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -123.93 139.05 31.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.564 0.697 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.21 5.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.0 m -107.05 82.43 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.34 146.27 16.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 143.4 50.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.1 m 43.23 51.67 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -108.32 -51.26 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.487 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -151.14 141.18 22.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -162.19 132.05 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.95 -72.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m 41.02 41.95 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -115.58 -59.51 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.92 -141.62 7.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -110.91 170.09 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 30.6 mttt -105.46 113.05 64.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.523 0.678 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.0 Cg_endo -69.84 4.92 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.12 109.47 10.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.46 149.13 52.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 25.2 t -78.35 162.0 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 m-80 -123.35 -24.51 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 mm-40 -70.36 -71.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.66 -15.94 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.73 123.36 2.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -175.0 173.22 2.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -128.53 157.56 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.3 m-85 -157.24 140.32 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -76.03 -37.88 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -118.71 151.1 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 2.6 ttmm -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.1 t -37.29 -55.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -48.96 -38.94 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' LYS . 39.3 tp -76.36 -31.47 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.48 -40.0 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t -67.74 -45.14 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 7.9 t60 -67.96 -29.79 68.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -72.16 -24.55 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.94 -36.27 79.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 m -54.92 -24.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.7 m-70 -95.71 -44.18 7.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -57.76 -35.7 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' VAL . . . -58.39 -161.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' GLY . 29.3 m -34.57 146.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -150.56 136.92 11.0 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.555 0.693 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 151.99 69.4 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -38.47 142.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -131.06 -173.46 13.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 162.25 42.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 43' ' ' SER . 25.8 t -46.21 -43.02 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' SER . 34.9 m -34.83 140.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.904 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.476 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 t -72.56 -58.72 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -51.43 142.34 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.67 -105.83 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -73.16 122.36 21.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -159.83 108.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -138.34 170.84 23.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 80.5 mm-40 -36.33 127.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.894 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 58.7 mttt -114.05 116.29 44.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 4.61 2.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.26 110.3 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -128.62 162.38 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.1 t -95.16 154.56 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -111.85 -41.39 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 5.1 mm-40 -49.29 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.24 -14.23 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.17 129.24 3.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.556 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 28.8 tttp -174.97 174.24 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -133.01 153.38 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 94.7 m-85 -156.9 140.18 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.6 m -73.78 -31.5 63.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -122.28 155.65 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.0 ttmt -62.52 -58.94 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 m -38.31 -52.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -52.38 -38.42 58.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LYS . 45.2 tp -74.3 -36.02 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 mm -61.3 -37.72 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.55 -46.03 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.503 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.1 t60 -69.28 -26.97 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -72.1 -29.2 63.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.53 -34.75 55.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -54.1 -31.96 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.474 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.4 m-70 -90.76 -56.9 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 t -83.59 133.28 34.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.6 -42.64 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 p -158.57 132.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 111.116 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -141.8 137.12 15.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 0.0 110.875 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.475 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.77 118.97 6.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -46.89 106.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -138.22 164.49 25.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 0.07 6.22 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.7 m -52.11 -61.31 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.8 p -115.94 159.61 21.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -82.16 114.31 20.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -68.44 120.75 15.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.26 132.7 3.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -93.69 85.28 4.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -97.83 146.53 25.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.93 147.14 7.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -84.25 136.97 33.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.395 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' CD ' ' HB1' ' A' ' 19' ' ' ALA . 14.7 mttp -93.13 116.42 66.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.77 4.51 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.1 m-85 -131.61 110.66 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.4 p -130.26 157.65 41.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.0 t -90.05 152.38 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -110.07 -42.08 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -47.95 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -101.61 -15.11 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.92 129.14 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 31.1 tttp -175.01 174.87 2.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.89 155.17 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.6 m-85 -159.65 143.36 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.7 m -75.46 -39.6 58.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -115.62 153.17 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.6 ttmt -58.01 -60.79 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' LYS . 83.1 p -37.26 -48.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -53.61 -41.64 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 20' ' ' PHE . 56.2 tp -73.85 -36.73 64.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.14 -39.71 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -45.21 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.461 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 13.3 t60 -70.04 -28.0 65.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -70.89 -32.65 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.59 -32.33 31.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -58.3 -26.78 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -96.57 -60.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 t -66.39 84.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.41 -81.27 0.21 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -66.72 140.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -129.64 143.94 50.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -167.26 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -87.77 51.74 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.17 152.58 7.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -174.82 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -59.86 173.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.1 p -116.12 86.43 2.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.489 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -131.27 102.31 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 p -103.4 -52.58 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.43 -107.03 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 43.95 39.98 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -57.5 -42.39 82.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.16 165.14 15.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.437 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -88.62 132.66 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 24.6 mttt -106.46 115.68 60.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.74 4.57 2.11 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.4 m-85 -132.19 109.21 9.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -132.45 148.58 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 23.1 t -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 m-80 -123.26 -29.42 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.27 -71.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -97.6 -14.91 20.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.03 123.97 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' NZ ' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tttm -175.12 173.2 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -130.71 157.11 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CZ ' ' NZ ' ' A' ' 18' ' ' LYS . 97.8 m-85 -158.04 140.83 14.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.7 m -75.41 -31.51 60.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -123.58 162.23 23.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.1 ttmt -66.55 -57.47 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 p -40.35 -55.45 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.14 -35.25 25.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 20' ' ' PHE . 44.5 tp -76.74 -36.73 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.7 mm -61.27 -41.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.38 -42.26 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.456 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.7 t60 -71.17 -30.83 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -70.03 -24.8 63.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.74 -35.53 82.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 m -53.24 -26.55 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.153 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -94.53 -48.96 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -43.19 156.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.54 -99.68 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -40.09 147.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -126.54 92.38 45.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.594 0.712 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 140.95 44.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -62.25 135.21 57.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.02 76.8 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 95.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.9 t -94.08 158.13 15.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.2 m 51.33 45.76 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.477 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -110.62 148.58 31.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.92 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -129.81 159.87 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.35 -53.24 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -128.88 117.16 20.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -127.1 154.45 44.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.35 -100.36 2.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -105.84 113.86 27.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' CD ' ' HB1' ' A' ' 19' ' ' ALA . 18.9 mttp -78.71 114.07 40.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.676 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.72 4.43 2.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.4 m-85 -130.67 110.96 11.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 p -130.24 157.88 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.2 t -87.12 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.552 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -107.23 -11.89 15.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.08 -69.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 4.8 p -97.61 -16.6 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.39 118.86 1.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' CG ' ' H ' ' A' ' 19' ' ' ALA . 18.9 tttp -175.12 173.9 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB1' ' CD ' ' A' ' 9' ' ' LYS . . . -127.36 157.07 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CD1' HD11 ' A' ' 26' ' ' LEU . 97.3 m-85 -157.85 139.39 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.0 m -74.03 -38.6 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.55 151.92 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.6 ttpm? -60.99 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LYS . 60.8 p -37.92 -50.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.33 -38.79 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 20' ' ' PHE . 62.6 tp -72.7 -37.35 67.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 mm -60.42 -41.98 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -67.81 -43.37 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -70.92 -26.3 63.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -74.54 -33.67 62.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.03 45.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.46 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 3.6 m -59.08 -26.66 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 15.2 m-70 -97.93 -52.14 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -40.49 120.04 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.73 178.08 29.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 p -172.3 151.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.375 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -159.26 132.73 4.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.711 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.94 19.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.305 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.3 m -71.47 -54.57 10.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.72 -157.42 49.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 143.98 52.22 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.286 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.0 p -150.1 146.11 26.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -109.93 155.63 21.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.46 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 80.9 p 36.64 42.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.917 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -79.86 -43.08 22.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -175.14 -156.24 14.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLY . 68.9 p 37.44 43.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -119.17 42.96 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.37 148.32 19.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.534 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.28 130.45 36.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 51.7 mttt -120.57 115.51 32.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.542 0.687 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.71 108.01 8.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -130.27 150.3 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.47 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 21.4 t -81.67 159.38 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.2 m-80 -120.37 -34.94 3.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.28 -72.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.5 -14.52 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.37 126.43 2.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.568 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 tttp -175.06 174.2 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB1' ' CD ' ' A' ' 9' ' ' LYS . . . -134.38 154.43 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.568 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 97.7 m-85 -157.57 145.28 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -78.68 -42.04 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.46 162.84 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.4 ttmt -70.04 -59.58 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 m -41.85 -43.73 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -57.61 -37.03 72.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' LYS . 35.6 tp -74.74 -30.93 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 mm -70.31 -35.5 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.9 -41.43 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.472 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 13.2 t60 -77.62 -30.19 52.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -70.7 -32.09 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.76 -28.77 39.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 HG22 ' CE1' ' A' ' 33' ' ' HIS . 5.9 m -60.93 -27.21 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' CE1' HG22 ' A' ' 32' ' ' VAL . 23.2 m-70 -96.76 -62.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -63.19 148.14 48.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.1 42.15 85.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -149.94 121.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -113.25 87.09 10.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.586 0.707 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 179.58 3.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -97.4 110.36 22.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.71 -83.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 121.22 7.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.388 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' SER . 58.2 p -89.33 83.95 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' SER . 36.5 t 37.93 41.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.462 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -157.5 148.71 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -157.14 116.03 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.39 -151.59 31.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 60.32 41.06 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.345 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -114.56 -58.45 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.83 -177.69 3.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -122.42 141.11 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 41.9 mttt -94.45 116.13 66.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.517 0.675 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.77 4.58 2.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 62.4 m-85 -133.18 108.28 8.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.89 148.18 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.794 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 15.0 t -78.02 162.23 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.469 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.8 m-80 -121.53 -33.46 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 3.6 mm-40 -58.3 -72.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -99.47 -18.12 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.73 124.96 3.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' CG ' ' H ' ' A' ' 19' ' ' ALA . 28.2 tttm -175.14 173.84 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB2' ' CD ' ' A' ' 9' ' ' LYS . . . -127.66 157.0 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 95.6 m-85 -157.98 143.91 17.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -80.96 -35.05 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -122.99 150.09 43.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' LEU . 5.8 tptp -52.57 -61.3 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' LYS . 58.2 p -34.26 -59.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -47.2 -40.21 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 36.6 tp -72.14 -27.87 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mm -69.94 -45.4 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.75 -38.56 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -76.18 -35.04 59.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -67.88 -21.58 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.92 -37.03 93.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -52.6 -29.55 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.458 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 28.2 m-70 -92.75 -60.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.459 ' O ' ' CG2' ' A' ' 34' ' ' THR . 10.1 t -75.52 83.44 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.49 -121.79 1.44 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.26 63.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 5.0 ttpm? -126.04 139.89 35.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 53.0 Cg_endo -69.83 -34.72 13.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.7 m -90.96 174.19 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.73 -158.3 48.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 177.46 5.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.356 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -87.33 170.32 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.5 p -112.27 10.63 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.482 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m -107.14 84.98 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.6 m -111.25 83.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.66 -159.93 5.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 p -117.68 172.48 7.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -124.07 -42.97 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.84 -179.87 17.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -125.8 133.07 52.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 44.5 mttt -116.79 115.21 39.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.72 4.61 2.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 63.7 m-85 -133.22 110.15 9.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -131.77 141.7 49.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.0 t -69.16 162.01 27.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.2 m-20 -123.45 -33.1 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -60.48 -72.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -97.88 -14.96 20.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.88 124.52 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 35.1 tttt -174.83 172.09 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -129.76 154.12 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.5 m-85 -155.44 138.74 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.408 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.3 m -76.15 -34.69 59.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -114.37 145.39 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 27.5 tttt -55.96 -61.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.9 m -41.55 -43.62 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.79 -37.53 73.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' LYS . 7.1 tp -76.24 -47.69 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.472 HD11 ' N ' ' A' ' 27' ' ' ILE . 2.5 mm -51.03 -42.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.8 t -63.06 -44.58 99.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.548 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 9.0 t60 -69.61 -26.25 64.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -70.94 -28.86 64.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -36.61 72.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 m -49.13 -30.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.558 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 22.4 m-70 -91.38 -45.15 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.6 p -45.79 133.31 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.84 58.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 m -82.32 141.14 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -156.41 135.85 8.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' SER . 54.1 Cg_endo -69.76 -2.61 10.48 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' PRO . 41.4 p -34.35 -58.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.23 164.96 21.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 88.15 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -98.37 87.38 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.805 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.4 p -174.65 159.95 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.526 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -68.77 139.83 55.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -107.75 80.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.44 164.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -112.45 88.64 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -89.89 108.11 19.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.63 131.68 3.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -96.46 130.67 43.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' CD ' ' HB3' ' A' ' 19' ' ' ALA . 21.5 mttp -78.11 116.37 58.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.75 4.32 2.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.8 m-85 -130.58 110.96 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -128.91 158.85 37.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -94.99 152.26 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -109.75 -41.84 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -46.77 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.3 p -101.86 -18.31 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 127.4 4.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' CG ' ' H ' ' A' ' 19' ' ' ALA . 26.1 tttp -175.29 175.27 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' HB3' ' CD ' ' A' ' 9' ' ' LYS . . . -132.2 155.99 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' CD2' HD11 ' A' ' 26' ' ' LEU . 99.6 m-85 -159.04 146.33 17.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -80.47 -41.3 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 156.49 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.6 -64.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' LYS . 53.2 p -34.04 -56.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.06 -42.65 29.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.0 tp -72.85 -32.94 65.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.41 -40.97 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.25 -42.0 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.419 ' ND1' ' HD3' ' A' ' 18' ' ' LYS . 17.4 t60 -73.14 -31.65 64.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -70.01 -27.51 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.67 -30.69 59.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.99 -25.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -95.19 -27.55 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 p -90.44 45.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.76 -115.94 3.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.4 p -131.21 12.52 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -127.51 142.33 43.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -178.97 2.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -45.11 136.7 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.68 83.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.5 Cg_endo -69.8 102.08 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.621 2.214 . . . . 0.0 112.344 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' PRO . 58.4 p 37.79 41.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -157.05 110.45 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.496 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -132.04 -46.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p 44.12 42.83 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.31 99.14 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -85.92 120.74 27.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -64.32 138.05 58.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.44 -172.9 18.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -144.03 125.63 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' CD ' ' HB1' ' A' ' 19' ' ' ALA . 46.0 mttt -96.02 117.0 66.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.76 4.34 2.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.7 m-85 -132.54 110.24 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -129.53 151.68 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 10.0 t -83.08 154.71 24.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -111.76 -44.4 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.6 mm-40 -45.27 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.8 p -100.48 -15.09 18.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.07 128.45 3.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 15.5 tttp -175.27 175.1 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB1' ' CD ' ' A' ' 9' ' ' LYS . . . -130.35 155.96 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 m-85 -157.51 138.98 13.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -76.31 -34.17 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -117.37 146.46 43.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 10.8 tttp -54.62 -58.45 7.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -42.97 -52.56 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.46 -35.24 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD12 ' CD2' ' A' ' 20' ' ' PHE . 16.9 tp -76.47 -51.5 11.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 HD12 ' CE ' ' A' ' 30' ' ' LYS . 2.9 mm -49.12 -41.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.2 t -62.95 -43.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.443 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 7.5 t60 -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' CE ' HD12 ' A' ' 27' ' ' ILE . 37.9 mtmt -69.9 -31.87 69.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.43 -35.73 61.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 m -49.71 -26.4 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.106 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.1 m-70 -98.09 -49.4 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' HIS . 68.4 p -37.09 -33.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' HIS . . . -106.74 -172.8 22.83 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -51.29 140.59 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.922 0.391 . . . . 0.0 111.101 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -132.27 144.02 51.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.515 0.674 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 145.99 58.71 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.278 . . . . 0.0 112.312 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.3 p -65.15 115.48 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.27 146.1 16.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 88.23 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -70.55 -46.64 63.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -170.33 157.86 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.477 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.71 4.53 2.11 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.6 110.38 10.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -134.11 146.66 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.75 158.59 28.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -35.01 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.63 -67.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -98.5 -35.41 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.5 118.95 4.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 28.7 tttp -174.08 172.43 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.88 157.62 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . 99.1 m-85 -158.41 141.29 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -75.12 -39.26 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.8 154.31 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.1 ttmt -59.49 -58.38 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.5 p -39.93 -55.12 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -48.68 -36.68 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 54.5 tp -76.17 -37.09 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' A' ' 23' ' ' LYS . 13.0 mm -59.97 -39.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.91 -45.78 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.155 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.0 t60 -67.49 -26.47 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 46.1 mttm -75.98 -29.56 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.51 -27.92 35.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -62.93 -29.32 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 29.0 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.539 0.685 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.81 4.35 2.27 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.13 109.91 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.2 p -134.19 145.47 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.33 154.21 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -115.71 -36.56 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.74 -68.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.5 p -97.01 -36.27 10.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.63 116.85 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -174.21 171.7 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.21 158.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.1 m-85 -157.25 139.56 14.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -75.49 -39.5 58.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.11 151.74 27.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 30.7 tttm -59.1 -60.79 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LYS . 32.8 t -36.71 -54.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -48.23 -40.39 24.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' LYS . 52.2 tp -73.36 -30.07 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.2 mm -70.49 -35.8 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.74 -40.64 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.522 ' O ' HG22 ' A' ' 32' ' ' VAL . 3.9 t60 -72.45 -28.38 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -74.56 -31.8 62.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.64 -30.35 34.79 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 29' ' ' HIS . 4.3 m -57.04 -34.07 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.388 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttp . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.79 4.4 2.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.65 110.12 10.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 p -133.07 145.66 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.32 156.33 29.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.8 -35.74 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.94 -67.77 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 p -100.67 -37.55 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.35 118.72 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -174.57 172.77 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.45 159.86 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 m-85 -160.11 144.14 14.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -79.96 -37.58 34.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.99 154.74 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HG3' HD11 ' A' ' 27' ' ' ILE . 31.4 tptt -57.5 -65.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' LYS . 11.9 p -34.29 -45.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.06 -45.24 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.9 tp -70.96 -30.4 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.556 HD11 ' HG3' ' A' ' 23' ' ' LYS . 19.0 mm -64.81 -43.95 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 24' ' ' SER . 46.8 t -63.93 -42.66 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.661 ' O ' HG22 ' A' ' 32' ' ' VAL . 11.7 t60 -71.52 -29.16 64.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -72.18 -30.63 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 -25.83 56.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 29' ' ' HIS . 4.3 m -62.24 -25.88 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.482 ' CD2' HG23 ' A' ' 32' ' ' VAL . 10.2 m80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 38.5 mttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.567 0.699 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.75 4.09 2.39 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.79 109.79 9.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -133.53 137.21 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.64 161.65 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.32 -36.76 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.93 -69.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.0 p -96.06 -39.58 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.7 118.38 3.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 26.8 tttp -174.13 170.12 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -124.99 159.35 31.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.2 m-85 -159.65 143.57 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 m -82.09 -31.89 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -124.9 154.35 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.623 ' HG3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -57.88 -61.45 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LYS . 28.4 m -35.81 -53.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -52.85 -39.68 62.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' LYS . 42.4 tp -72.86 -30.97 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 23' ' ' LYS . 17.9 mm -65.6 -43.22 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.39 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' O ' HG22 ' A' ' 32' ' ' VAL . 11.6 t60 -75.25 -28.08 59.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -75.59 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.24 49.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.8 m -54.11 -38.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.158 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 37.7 mttt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.617 0.722 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 4.5 2.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -129.6 110.06 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 p -132.03 149.23 52.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.69 156.36 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -117.21 -37.19 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.25 -67.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 p -100.9 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.61 121.32 4.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 29.3 tttt -175.0 173.69 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.71 159.57 36.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 95.3 m-85 -161.32 141.71 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -77.82 -32.04 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -120.31 152.72 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' HD11 ' A' ' 27' ' ' ILE . 3.9 ttmt -60.35 -56.35 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -41.2 -55.05 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -50.3 -35.01 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.8 tp -76.53 -36.09 57.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 ' HG3' ' A' ' 23' ' ' LYS . 7.3 mm -63.47 -41.23 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.93 -41.15 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.578 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 10.6 t60 -73.27 -25.59 60.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -76.92 -23.57 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.52 -24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 2.7 m -62.87 -25.54 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 14.6 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.562 0.696 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.42 108.49 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 m -133.79 134.89 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.91 158.59 30.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -119.43 -36.58 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.61 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 p -93.31 -39.53 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.92 116.56 3.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -174.24 170.88 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -125.29 158.57 33.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.2 m-85 -157.82 138.86 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -75.91 -39.31 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -115.12 146.55 41.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.68 ' HG3' HD11 ' A' ' 27' ' ' ILE . 1.8 tppp? -53.26 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.2 t -33.77 -54.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -48.79 -43.49 38.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 55.4 tp -72.97 -35.3 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.68 HD11 ' HG3' ' A' ' 23' ' ' LYS . 16.0 mm -60.69 -38.19 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.6 t -71.45 -46.54 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.472 ' O ' HG22 ' A' ' 32' ' ' VAL . 6.3 t60 -64.35 -26.78 68.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 37.9 mttm -74.19 -28.91 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.62 50.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.2 m -60.92 -32.12 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 26.5 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.14 109.68 9.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -134.61 135.08 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.68 160.4 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.26 -37.91 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.22 -66.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 p -98.8 -37.08 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.4 118.93 3.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.587 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 32.8 tttt -174.34 172.49 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.26 157.98 38.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.8 m-85 -158.32 141.53 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -78.52 -31.92 47.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.91 149.3 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.714 ' HG3' HD11 ' A' ' 27' ' ' ILE . 1.6 tppp? -53.65 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' LYS . 65.0 m -34.31 -56.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -48.26 -41.86 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 51.5 tp -72.58 -39.39 67.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.714 HD11 ' HG3' ' A' ' 23' ' ' LYS . 11.4 mm -57.82 -40.97 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.54 -46.78 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 8.3 t60 -67.22 -27.07 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -75.35 -32.76 60.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.04 -32.91 28.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -57.1 -35.02 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 23.3 mttm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.76 4.41 2.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.0 m-85 -131.29 110.86 11.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.6 p -131.58 157.45 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 31.4 t -86.34 158.86 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -118.19 -32.6 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.72 -72.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.2 p -100.07 -13.85 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.37 127.5 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 26.7 tttp -175.0 173.71 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -131.95 155.12 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 94.6 m-85 -158.99 141.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -77.43 -37.05 52.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -111.01 152.77 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 12.0 tttp -61.83 -60.5 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 p -38.92 -48.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.28 -39.55 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' LYS . 41.3 tp -74.01 -35.03 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.1 -41.31 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.97 -42.92 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 14.3 t60 -70.29 -29.72 66.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HE2' HD11 ' A' ' 26' ' ' LEU . 37.9 mttm -71.72 -24.3 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.42 -29.45 71.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 33' ' ' HIS . 2.6 m -61.23 -24.63 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.487 ' CD2' HG23 ' A' ' 32' ' ' VAL . 12.8 m80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 24.5 mttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.69 4.36 2.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.328 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -128.83 108.45 10.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 p -129.17 151.42 49.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.59 156.32 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.2 -35.16 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.8 -68.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.21 -37.84 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 119.84 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.518 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 46.1 tttt -175.22 174.42 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.63 156.51 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.472 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 91.9 m-85 -156.47 142.13 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.8 m -70.95 -45.26 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -110.97 159.05 18.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 20.4 ttmt -64.42 -56.78 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 p -41.51 -46.78 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -56.48 -35.86 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' LYS . 49.2 tp -76.67 -37.78 55.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.1 mm -57.94 -41.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.23 -45.78 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 7.9 t60 -67.2 -26.22 66.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -73.6 -31.49 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.03 -38.01 37.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 m -50.04 -33.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.523 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 9.2 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 69.7 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.83 4.92 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.8 m-85 -130.12 111.17 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 p -129.05 161.69 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.5 t -89.05 161.14 16.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.0 m-20 -119.13 -33.78 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HG3' ' CG ' ' A' ' 33' ' ' HIS . 8.3 mm-40 -60.63 -72.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.23 -14.52 18.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 127.55 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 18.5 tttp -175.16 174.58 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.47 156.35 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.3 m-85 -157.39 140.52 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 9.4 m -77.57 -36.3 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -116.18 148.46 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 9.2 tttp -55.16 -61.19 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.413 ' O ' HG23 ' A' ' 28' ' ' VAL . 68.2 p -40.03 -50.24 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -52.44 -37.65 57.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD11 ' HE3' ' A' ' 30' ' ' LYS . 42.4 tp -75.95 -37.17 58.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' A' ' 23' ' ' LYS . 6.2 mm -60.64 -41.1 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 24' ' ' SER . 45.4 t -65.1 -43.07 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.634 ' O ' HG22 ' A' ' 32' ' ' VAL . 9.2 t60 -70.39 -31.33 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE3' HD11 ' A' ' 26' ' ' LEU . 46.7 mttt -70.03 -28.38 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.5 -26.7 57.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.2 m -61.62 -25.66 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.577 ' CD2' HG23 ' A' ' 32' ' ' VAL . 8.2 m80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 30.6 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.523 0.678 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.0 Cg_endo -69.84 4.92 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.12 109.47 10.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.46 149.13 52.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 25.2 t -78.35 162.0 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.4 m120 -123.35 -24.51 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 mm-40 -70.36 -71.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.66 -15.94 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.73 123.36 2.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 15.9 tttp -175.0 173.22 2.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.53 157.56 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.076 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 26' ' ' LEU . 97.3 m-85 -157.24 140.32 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -76.03 -37.88 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -118.71 151.1 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 2.6 ttmm -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.1 t -37.29 -55.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -48.96 -38.94 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 20' ' ' PHE . 39.3 tp -76.36 -31.47 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.48 -40.0 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t -67.74 -45.14 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 7.9 t60 -67.96 -29.79 68.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -72.16 -24.55 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.94 -36.27 79.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.419 HG13 ' H ' ' A' ' 32' ' ' VAL . 2.7 m -54.92 -24.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.7 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 58.7 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 4.61 2.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.26 110.3 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -128.62 162.38 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.1 t -95.16 154.56 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -111.85 -41.39 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 5.1 mm-40 -49.29 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.24 -14.23 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.17 129.24 3.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 28.8 tttp -174.97 174.24 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.01 153.38 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 94.7 m-85 -156.9 140.18 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.409 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.6 m -73.78 -31.5 63.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -122.28 155.65 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.0 ttmt -62.52 -58.94 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 m -38.31 -52.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -52.38 -38.42 58.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LYS . 45.2 tp -74.3 -36.02 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.422 HD11 ' HG3' ' A' ' 23' ' ' LYS . 12.1 mm -61.3 -37.72 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.55 -46.03 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.1 t60 -69.28 -26.97 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -72.1 -29.2 63.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.53 -34.75 55.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG23 ' CD2' ' A' ' 33' ' ' HIS . 2.9 m -54.1 -31.96 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.479 ' CD2' HG23 ' A' ' 32' ' ' VAL . 11.3 m80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 14.7 mttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.77 4.51 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.1 m-85 -131.61 110.66 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.4 p -130.26 157.65 41.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.0 t -90.05 152.38 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -110.07 -42.08 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -47.95 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -101.61 -15.11 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.92 129.14 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.554 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 31.1 tttp -175.01 174.87 2.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.89 155.17 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.6 m-85 -159.65 143.36 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.7 m -75.46 -39.6 58.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -115.62 153.17 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.6 ttmt -58.01 -60.79 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' LYS . 83.1 p -37.26 -48.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -53.61 -41.64 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HE3' ' A' ' 30' ' ' LYS . 56.2 tp -73.85 -36.73 64.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.569 HD11 ' HG3' ' A' ' 23' ' ' LYS . 11.6 mm -59.14 -39.71 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -45.21 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 32' ' ' VAL . 13.3 t60 -70.04 -28.0 65.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HE3' HD21 ' A' ' 26' ' ' LEU . 53.5 mttt -70.89 -32.65 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.59 -32.33 31.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.1 m -58.3 -26.78 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.454 ' CD2' HG23 ' A' ' 32' ' ' VAL . 13.4 m80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.74 4.57 2.11 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.4 m-85 -132.19 109.21 9.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -132.45 148.58 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 23.1 t -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 m-80 -123.26 -29.42 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.27 -71.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -97.6 -14.91 20.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.03 123.97 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' NZ ' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tttm -175.12 173.2 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -130.71 157.11 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.509 ' CZ ' ' NZ ' ' A' ' 18' ' ' LYS . 97.8 m-85 -158.04 140.83 14.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.7 m -75.41 -31.51 60.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -123.58 162.23 23.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.1 ttmt -66.55 -57.47 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 p -40.35 -55.45 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.14 -35.25 25.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD11 ' HE2' ' A' ' 30' ' ' LYS . 44.5 tp -76.74 -36.73 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.547 HD11 ' HG3' ' A' ' 23' ' ' LYS . 8.7 mm -61.27 -41.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.38 -42.26 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.479 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.7 t60 -71.17 -30.83 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE2' HD11 ' A' ' 26' ' ' LEU . 33.5 mttm -70.03 -24.8 63.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.74 -35.53 82.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 33' ' ' HIS . 3.0 m -53.24 -26.55 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.538 ' CD2' HG23 ' A' ' 32' ' ' VAL . 9.7 m80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 18.9 mttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.519 0.676 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.72 4.43 2.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.4 m-85 -130.67 110.96 11.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 p -130.24 157.88 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.2 t -87.12 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -107.23 -11.89 15.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.08 -69.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 4.8 p -97.61 -16.6 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.39 118.86 1.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -175.12 173.9 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.36 157.07 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.3 m-85 -157.85 139.39 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.0 m -74.03 -38.6 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.55 151.92 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.6 ttpm? -60.99 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LYS . 60.8 p -37.92 -50.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.33 -38.79 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' LYS . 62.6 tp -72.7 -37.35 67.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.419 HD11 ' CG ' ' A' ' 23' ' ' LYS . 11.0 mm -60.42 -41.98 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -67.81 -43.37 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 32' ' ' VAL . 7.3 t60 -70.92 -26.3 63.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -74.54 -33.67 62.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.03 45.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.6 m -59.08 -26.66 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 15.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 51.7 mttt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.542 0.687 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.71 108.01 8.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -130.27 150.3 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.481 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 21.4 t -81.67 159.38 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.412 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.2 m-80 -120.37 -34.94 3.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.28 -72.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.5 -14.52 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.37 126.43 2.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 tttp -175.06 174.2 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -134.38 154.43 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 97.7 m-85 -157.57 145.28 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -78.68 -42.04 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.46 162.84 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.4 ttmt -70.04 -59.58 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 28' ' ' VAL . 50.4 m -41.85 -43.73 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -57.61 -37.03 72.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD11 ' HE3' ' A' ' 30' ' ' LYS . 35.6 tp -74.74 -30.93 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 mm -70.31 -35.5 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 24' ' ' SER . 21.9 t -66.9 -41.43 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.715 ' O ' HG22 ' A' ' 32' ' ' VAL . 13.2 t60 -77.62 -30.19 52.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HE3' HD11 ' A' ' 26' ' ' LEU . 49.8 mttt -70.7 -32.09 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.76 -28.77 39.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.9 m -60.93 -27.21 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 41.9 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.517 0.675 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.77 4.58 2.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 62.4 m-85 -133.18 108.28 8.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.89 148.18 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.794 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 15.0 t -78.02 162.23 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.469 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.8 m-80 -121.53 -33.46 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 3.6 mm-40 -58.3 -72.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -99.47 -18.12 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.73 124.96 3.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 28.2 tttm -175.14 173.84 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.66 157.0 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 95.6 m-85 -157.98 143.91 17.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -80.96 -35.05 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -122.99 150.09 43.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.609 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.8 tptp -52.57 -61.3 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' LYS . 58.2 p -34.26 -59.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -47.2 -40.21 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 36.6 tp -72.14 -27.87 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.609 HD11 ' HG3' ' A' ' 23' ' ' LYS . 20.4 mm -69.94 -45.4 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.75 -38.56 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' O ' HG22 ' A' ' 32' ' ' VAL . 9.1 t60 -76.18 -35.04 59.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -67.88 -21.58 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.92 -37.03 93.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.422 HG13 ' H ' ' A' ' 32' ' ' VAL . 3.1 m -52.6 -29.55 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 28.2 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 21' ' ' THR . 44.5 mttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.72 4.61 2.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 63.7 m-85 -133.22 110.15 9.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -131.77 141.7 49.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.0 t -69.16 162.01 27.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.2 m-20 -123.45 -33.1 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 6.5 mm-40 -60.48 -72.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -97.88 -14.96 20.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.88 124.52 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 35.1 tttt -174.83 172.09 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.76 154.12 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.5 m-85 -155.44 138.74 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.412 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.3 m -76.15 -34.69 59.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -114.37 145.39 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HG3' HD11 ' A' ' 27' ' ' ILE . 27.5 tttt -55.96 -61.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 28' ' ' VAL . 49.9 m -41.55 -43.62 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.79 -37.53 73.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' LYS . 7.1 tp -76.24 -47.69 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.608 ' N ' HD13 ' A' ' 27' ' ' ILE . 2.5 mm -51.03 -42.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 24' ' ' SER . 99.8 t -63.06 -44.58 99.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.571 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 9.0 t60 -69.61 -26.25 64.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -70.94 -28.86 64.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -36.61 72.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.539 HG23 ' CD2' ' A' ' 33' ' ' HIS . 3.7 m -49.13 -30.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CD2' HG23 ' A' ' 32' ' ' VAL . 9.1 m80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 21.5 mttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.75 4.32 2.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.8 m-85 -130.58 110.96 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -128.91 158.85 37.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 13.1 t -94.99 152.26 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -109.75 -41.84 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -46.77 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.3 p -101.86 -18.31 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 127.4 4.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD3' ' ND1' ' A' ' 29' ' ' HIS . 26.1 tttp -175.29 175.27 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.2 155.99 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' TYR . 99.6 m-85 -159.04 146.33 17.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -80.47 -41.3 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 156.49 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HG3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -56.6 -64.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' LYS . 53.2 p -34.04 -56.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.06 -42.65 29.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.0 tp -72.85 -32.94 65.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.624 HD11 ' HG3' ' A' ' 23' ' ' LYS . 18.4 mm -64.41 -40.97 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.25 -42.0 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.464 ' O ' HG22 ' A' ' 32' ' ' VAL . 17.4 t60 -73.14 -31.65 64.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -70.01 -27.51 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.67 -30.69 59.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' A' ' 33' ' ' HIS . 2.8 m -59.99 -25.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 111.124 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.486 ' CD2' HG23 ' A' ' 32' ' ' VAL . 12.8 m80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 46.0 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.76 4.34 2.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.7 m-85 -132.54 110.24 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -129.53 151.68 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 10.0 t -83.08 154.71 24.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -111.76 -44.4 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 6.6 mm-40 -45.27 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.8 p -100.48 -15.09 18.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.07 128.45 3.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 15.5 tttp -175.27 175.1 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.35 155.96 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 m-85 -157.51 138.98 13.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -76.31 -34.17 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -117.37 146.46 43.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 10.8 tttp -54.62 -58.45 7.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 28' ' ' VAL . 57.1 p -42.97 -52.56 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.46 -35.24 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.9 tp -76.47 -51.5 11.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 27' ' ' ILE . 2.9 mm -49.12 -41.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 24' ' ' SER . 39.2 t -62.95 -43.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 32' ' ' VAL . 7.5 t60 -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.9 -31.87 69.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.43 -35.73 61.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.4 m -49.71 -26.4 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.543 ' CD2' HG23 ' A' ' 32' ' ' VAL . 10.7 m80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -94.11 94.95 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -147.62 129.54 15.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.85 -57.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -50.8 125.3 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -142.47 127.35 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.59 -94.59 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -140.65 131.82 26.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -141.21 114.45 6.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.71 4.53 2.11 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.6 110.38 10.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -134.11 146.66 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.75 158.59 28.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -35.01 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.63 -67.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -98.5 -35.41 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.5 118.95 4.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 28.7 tttp -174.08 172.43 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.88 157.62 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . 99.1 m-85 -158.41 141.29 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -75.12 -39.26 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.8 154.31 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.1 ttmt -59.49 -58.38 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.5 p -39.93 -55.12 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -48.68 -36.68 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 54.5 tp -76.17 -37.09 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' A' ' 23' ' ' LYS . 13.0 mm -59.97 -39.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.91 -45.78 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.155 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.0 t60 -67.49 -26.47 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 46.1 mttm -75.98 -29.56 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.51 -27.92 35.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -62.93 -29.32 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -91.02 -63.03 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -62.7 125.83 25.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.54 86.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 m -83.54 19.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -149.02 143.94 17.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -1.37 8.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.9 m -76.35 55.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 43.66 -158.28 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.58 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.277 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.2 p -38.99 -53.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.6 m -117.28 168.33 10.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.498 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -50.1 123.73 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -155.11 148.79 25.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.06 -167.27 26.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -158.86 167.31 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -126.55 87.46 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.56 118.36 1.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.91 148.19 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.94 0.4 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 29.0 mttt -97.9 115.32 65.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.539 0.685 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.81 4.35 2.27 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.13 109.91 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.2 p -134.19 145.47 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.33 154.21 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -115.71 -36.56 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.74 -68.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.5 p -97.01 -36.27 10.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.63 116.85 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -174.21 171.7 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.21 158.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.1 m-85 -157.25 139.56 14.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -75.49 -39.5 58.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.11 151.74 27.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 30.7 tttm -59.1 -60.79 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LYS . 32.8 t -36.71 -54.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -48.23 -40.39 24.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' LYS . 52.2 tp -73.36 -30.07 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.2 mm -70.49 -35.8 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.74 -40.64 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.522 ' O ' HG22 ' A' ' 32' ' ' VAL . 3.9 t60 -72.45 -28.38 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -74.56 -31.8 62.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.64 -30.35 34.79 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 29' ' ' HIS . 4.3 m -57.04 -34.07 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.388 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -87.5 -61.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 34' ' ' THR . 5.1 t -72.11 107.14 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.97 -161.09 35.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.63 146.53 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 20.3 ttmm -141.06 139.61 19.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.77 162.98 39.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.368 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 t -84.73 143.66 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.98 -158.65 7.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 81.16 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.292 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.4 p 41.12 39.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 m -93.16 81.38 4.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.505 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -163.75 168.87 19.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -50.44 164.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.89 176.91 28.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -146.64 114.17 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -110.62 95.19 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.72 162.97 23.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -98.49 133.18 43.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -110.38 115.51 54.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.79 4.4 2.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.65 110.12 10.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 p -133.07 145.66 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.32 156.33 29.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.8 -35.74 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.94 -67.77 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 p -100.67 -37.55 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.35 118.72 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -174.57 172.77 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.45 159.86 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 m-85 -160.11 144.14 14.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -79.96 -37.58 34.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.99 154.74 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HG3' HD11 ' A' ' 27' ' ' ILE . 31.4 tptt -57.5 -65.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' LYS . 11.9 p -34.29 -45.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.06 -45.24 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.9 tp -70.96 -30.4 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.556 HD11 ' HG3' ' A' ' 23' ' ' LYS . 19.0 mm -64.81 -43.95 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 24' ' ' SER . 46.8 t -63.93 -42.66 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.661 ' O ' HG22 ' A' ' 32' ' ' VAL . 11.7 t60 -71.52 -29.16 64.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -72.18 -30.63 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 -25.83 56.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 29' ' ' HIS . 4.3 m -62.24 -25.88 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -95.27 -21.33 18.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 p -89.9 47.86 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.94 -68.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.78 119.26 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 18.5 ttpp -171.62 139.89 1.16 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.7 Cg_endo -69.76 87.8 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -111.13 78.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.16 145.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 122.14 8.81 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.332 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t 47.81 45.06 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.2 m -109.87 41.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.474 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 m 62.34 42.25 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -90.36 153.44 20.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.43 -123.46 5.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 p -100.31 146.03 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.364 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -95.84 93.31 6.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.01 -154.37 16.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -137.05 130.85 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 38.5 mttt -108.79 115.9 56.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.75 4.09 2.39 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.79 109.79 9.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -133.53 137.21 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.64 161.65 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.32 -36.76 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.93 -69.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.0 p -96.06 -39.58 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.7 118.38 3.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 26.8 tttp -174.13 170.12 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -124.99 159.35 31.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.2 m-85 -159.65 143.57 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 m -82.09 -31.89 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -124.9 154.35 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.623 ' HG3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -57.88 -61.45 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LYS . 28.4 m -35.81 -53.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -52.85 -39.68 62.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' LYS . 42.4 tp -72.86 -30.97 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 23' ' ' LYS . 17.9 mm -65.6 -43.22 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.39 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' O ' HG22 ' A' ' 32' ' ' VAL . 11.6 t60 -75.25 -28.08 59.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 34' ' ' THR . 51.4 mttt -75.59 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.24 49.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.8 m -54.11 -38.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.158 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -84.47 -44.93 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 30' ' ' LYS . 70.1 p -42.49 124.91 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.47 -82.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.71 133.71 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -142.61 148.3 46.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.569 0.699 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 87.84 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.373 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -54.83 140.51 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.75 169.28 36.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.15 64.25 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.7 p 38.15 42.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -59.06 135.46 57.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.473 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -106.23 -19.57 13.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -72.32 138.09 47.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.79 102.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -102.79 160.37 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -99.92 -59.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.76 -170.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -129.17 130.27 46.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 37.7 mttt -94.25 112.52 57.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 4.5 2.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -129.6 110.06 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 p -132.03 149.23 52.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.69 156.36 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -117.21 -37.19 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.25 -67.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 p -100.9 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.61 121.32 4.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 29.3 tttt -175.0 173.69 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.71 159.57 36.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 95.3 m-85 -161.32 141.71 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -77.82 -32.04 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -120.31 152.72 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' HD11 ' A' ' 27' ' ' ILE . 3.9 ttmt -60.35 -56.35 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -41.2 -55.05 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -50.3 -35.01 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.8 tp -76.53 -36.09 57.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 ' HG3' ' A' ' 23' ' ' LYS . 7.3 mm -63.47 -41.23 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.93 -41.15 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.578 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 10.6 t60 -73.27 -25.59 60.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 34' ' ' THR . 39.2 mttt -76.92 -23.57 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.52 -24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 2.7 m -62.87 -25.54 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 14.6 m-70 -93.72 -41.78 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 30' ' ' LYS . 18.8 p -54.75 117.32 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.19 -77.78 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.8 t -77.3 142.16 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.913 0.387 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -126.53 89.56 51.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.55 0.69 . . . . 0.0 110.933 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.73 31.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.616 2.211 . . . . 0.0 112.377 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -74.23 117.05 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.05 -168.79 19.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -47.32 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.2 p -95.04 136.61 35.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 m -96.83 125.29 41.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -129.68 138.86 51.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -84.66 -44.34 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.86 109.07 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -110.13 118.24 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.398 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -56.23 99.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.51 159.31 11.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -70.98 157.63 37.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.395 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -97.41 115.42 65.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.562 0.696 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.42 108.49 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 m -133.79 134.89 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.91 158.59 30.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -119.43 -36.58 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.61 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 p -93.31 -39.53 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.92 116.56 3.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -174.24 170.88 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -125.29 158.57 33.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.2 m-85 -157.82 138.86 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -75.91 -39.31 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -115.12 146.55 41.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.68 ' HG3' HD11 ' A' ' 27' ' ' ILE . 1.8 tppp? -53.26 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.2 t -33.77 -54.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -48.79 -43.49 38.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 55.4 tp -72.97 -35.3 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.68 HD11 ' HG3' ' A' ' 23' ' ' LYS . 16.0 mm -60.69 -38.19 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.6 t -71.45 -46.54 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.472 ' O ' HG22 ' A' ' 32' ' ' VAL . 6.3 t60 -64.35 -26.78 68.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 37.9 mttm -74.19 -28.91 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.62 50.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.2 m -60.92 -32.12 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -90.0 -58.71 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 34' ' ' THR . 9.2 t -79.01 50.84 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.1 -78.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.99 143.09 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -128.89 143.53 49.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -175.3 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.631 2.22 . . . . 0.0 112.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.1 p -126.55 98.84 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 175.89 -158.32 25.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.7 Cg_endo -69.84 2.33 3.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' PRO . 12.3 t -34.58 133.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.7 p 50.79 42.22 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.501 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -136.0 143.37 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -122.44 161.65 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.24 122.05 5.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -164.61 119.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 m -130.54 99.85 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.29 102.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -49.34 133.94 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 26.5 mttt -125.71 114.54 24.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.14 109.68 9.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -134.61 135.08 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.68 160.4 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.26 -37.91 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.22 -66.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 p -98.8 -37.08 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.4 118.93 3.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.587 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 32.8 tttt -174.34 172.49 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.26 157.98 38.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.8 m-85 -158.32 141.53 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -78.52 -31.92 47.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.91 149.3 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.714 ' HG3' HD11 ' A' ' 27' ' ' ILE . 1.6 tppp? -53.65 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' LYS . 65.0 m -34.31 -56.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -48.26 -41.86 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 51.5 tp -72.58 -39.39 67.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.714 HD11 ' HG3' ' A' ' 23' ' ' LYS . 11.4 mm -57.82 -40.97 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.54 -46.78 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 8.3 t60 -67.22 -27.07 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -75.35 -32.76 60.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.04 -32.91 28.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -57.1 -35.02 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -86.06 -27.33 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 p -87.3 48.7 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.29 47.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 p -138.48 147.81 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.5 141.29 39.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.544 0.688 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' GLY . 4.1 t -50.16 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.76 146.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.28 3.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -77.18 53.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -133.23 73.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.465 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -50.75 -47.27 59.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -40.88 140.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.81 39.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -89.23 99.87 12.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -171.41 153.69 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.11 -173.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -109.8 144.97 37.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 23.3 mttm -91.51 116.2 65.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.76 4.41 2.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.0 m-85 -131.29 110.86 11.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.6 p -131.58 157.45 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 31.4 t -86.34 158.86 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -118.19 -32.6 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.72 -72.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.2 p -100.07 -13.85 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.37 127.5 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 26.7 tttp -175.0 173.71 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -131.95 155.12 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 94.6 m-85 -158.99 141.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -77.43 -37.05 52.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -111.01 152.77 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 12.0 tttp -61.83 -60.5 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 p -38.92 -48.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.28 -39.55 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' LYS . 41.3 tp -74.01 -35.03 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.1 -41.31 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.97 -42.92 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 14.3 t60 -70.29 -29.72 66.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HE2' HD11 ' A' ' 26' ' ' LEU . 37.9 mttm -71.72 -24.3 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.42 -29.45 71.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 29' ' ' HIS . 2.6 m -61.23 -24.63 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -95.47 -14.58 23.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.1 p -93.81 46.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.53 128.79 3.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.45 135.66 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 43.9 tttt -133.55 139.86 35.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.1 Cg_endo -69.78 87.45 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.2 p -130.95 41.33 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.18 -75.46 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 162.87 40.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.0 t -80.81 43.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m 50.07 41.98 24.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.486 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -104.43 113.64 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -55.13 -56.88 14.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.97 122.56 5.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.437 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -128.7 41.39 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -117.73 -45.08 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.57 178.01 48.47 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -125.1 138.47 54.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 24.5 mttp -113.02 114.43 48.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.69 4.36 2.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.328 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -128.83 108.45 10.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 p -129.17 151.42 49.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.59 156.32 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.2 -35.16 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.8 -68.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.21 -37.84 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 119.84 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.518 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 46.1 tttt -175.22 174.42 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.63 156.51 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.472 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 91.9 m-85 -156.47 142.13 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.8 m -70.95 -45.26 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -110.97 159.05 18.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 20.4 ttmt -64.42 -56.78 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 p -41.51 -46.78 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -56.48 -35.86 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' LYS . 49.2 tp -76.67 -37.78 55.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.1 mm -57.94 -41.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.23 -45.78 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 7.9 t60 -67.2 -26.22 66.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -73.6 -31.49 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.03 -38.01 37.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 m -50.04 -33.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.523 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 9.2 m-70 -90.29 -54.2 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 34' ' ' THR . 15.4 t -85.12 43.04 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.95 -134.58 5.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.52 145.35 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.16 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -157.29 125.29 2.82 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.701 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 162.97 39.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.248 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -82.46 -60.52 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.34 157.08 3.29 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -46.25 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t 60.97 43.91 11.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -95.08 130.93 41.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.51 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.2 p -87.09 106.28 17.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -96.13 125.06 40.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.03 61.71 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.432 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 p -125.83 -30.55 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -89.89 175.98 7.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.39 -106.41 2.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -63.34 133.84 54.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 69.7 mttt -111.21 109.54 56.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.83 4.92 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.8 m-85 -130.12 111.17 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 p -129.05 161.69 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.5 t -89.05 161.14 16.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.0 m-20 -119.13 -33.78 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 8.3 mm-40 -60.63 -72.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.23 -14.52 18.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 127.55 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 18.5 tttp -175.16 174.58 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.47 156.35 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.3 m-85 -157.39 140.52 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 9.4 m -77.57 -36.3 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -116.18 148.46 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 9.2 tttp -55.16 -61.19 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.413 ' O ' HG23 ' A' ' 28' ' ' VAL . 68.2 p -40.03 -50.24 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -52.44 -37.65 57.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD11 ' HE3' ' A' ' 30' ' ' LYS . 42.4 tp -75.95 -37.17 58.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' A' ' 23' ' ' LYS . 6.2 mm -60.64 -41.1 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 24' ' ' SER . 45.4 t -65.1 -43.07 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.634 ' O ' HG22 ' A' ' 32' ' ' VAL . 9.2 t60 -70.39 -31.33 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE3' HD11 ' A' ' 26' ' ' LEU . 46.7 mttt -70.03 -28.38 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' A' ' 34' ' ' THR . . . -57.5 -26.7 57.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.2 m -61.62 -25.66 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.666 ' O ' HG12 ' A' ' 36' ' ' VAL . 22.3 m-70 -99.29 -62.27 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.423 ' CG2' ' HA2' ' A' ' 31' ' ' GLY . 8.8 t -55.66 -25.59 40.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' VAL . . . -55.94 -64.56 4.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 33' ' ' HIS . 9.7 p -35.89 146.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -123.93 139.05 31.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.564 0.697 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.21 5.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.0 m -107.05 82.43 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.34 146.27 16.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 143.4 50.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.1 m 43.23 51.67 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -108.32 -51.26 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.487 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -151.14 141.18 22.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -162.19 132.05 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.95 -72.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m 41.02 41.95 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -115.58 -59.51 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.92 -141.62 7.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -110.91 170.09 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 30.6 mttt -105.46 113.05 64.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.523 0.678 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.0 Cg_endo -69.84 4.92 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.12 109.47 10.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.46 149.13 52.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 25.2 t -78.35 162.0 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 3.4 m120 -123.35 -24.51 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 mm-40 -70.36 -71.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.66 -15.94 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.73 123.36 2.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 15.9 tttp -175.0 173.22 2.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.53 157.56 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.076 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 26' ' ' LEU . 97.3 m-85 -157.24 140.32 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -76.03 -37.88 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -118.71 151.1 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 2.6 ttmm -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.1 t -37.29 -55.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -48.96 -38.94 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 20' ' ' PHE . 39.3 tp -76.36 -31.47 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.48 -40.0 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t -67.74 -45.14 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 7.9 t60 -67.96 -29.79 68.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 34' ' ' THR . 35.1 mttm -72.16 -24.55 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.94 -36.27 79.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG13 ' H ' ' A' ' 32' ' ' VAL . 2.7 m -54.92 -24.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.7 m-70 -95.71 -44.18 7.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 30' ' ' LYS . 30.6 p -57.76 -35.7 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' VAL . . . -58.39 -161.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' GLY . 29.3 m -34.57 146.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -150.56 136.92 11.0 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.555 0.693 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 151.99 69.4 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -38.47 142.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -131.06 -173.46 13.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 162.25 42.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 43' ' ' SER . 25.8 t -46.21 -43.02 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' SER . 34.9 m -34.83 140.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.904 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.476 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 t -72.56 -58.72 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -51.43 142.34 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.67 -105.83 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -73.16 122.36 21.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -159.83 108.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -138.34 170.84 23.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 80.5 mm-40 -36.33 127.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.894 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 58.7 mttt -114.05 116.29 44.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 4.61 2.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.26 110.3 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -128.62 162.38 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.1 t -95.16 154.56 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -111.85 -41.39 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 5.1 mm-40 -49.29 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.24 -14.23 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.17 129.24 3.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 28.8 tttp -174.97 174.24 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.01 153.38 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 94.7 m-85 -156.9 140.18 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.409 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.6 m -73.78 -31.5 63.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -122.28 155.65 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.0 ttmt -62.52 -58.94 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 m -38.31 -52.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -52.38 -38.42 58.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LYS . 45.2 tp -74.3 -36.02 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.422 HD11 ' HG3' ' A' ' 23' ' ' LYS . 12.1 mm -61.3 -37.72 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.55 -46.03 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.1 t60 -69.28 -26.97 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 34' ' ' THR . 32.0 mttm -72.1 -29.2 63.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.53 -34.75 55.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 29' ' ' HIS . 2.9 m -54.1 -31.96 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.472 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.4 m-70 -90.76 -56.9 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 30' ' ' LYS . 1.2 t -83.59 133.28 34.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.6 -42.64 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 p -158.57 132.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 111.116 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -141.8 137.12 15.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 0.0 110.875 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.77 118.97 6.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -46.89 106.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -138.22 164.49 25.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 0.07 6.22 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.7 m -52.11 -61.31 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.8 p -115.94 159.61 21.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -82.16 114.31 20.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -68.44 120.75 15.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.26 132.7 3.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -93.69 85.28 4.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -97.83 146.53 25.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.93 147.14 7.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -84.25 136.97 33.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.395 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 14.7 mttp -93.13 116.42 66.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.77 4.51 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.1 m-85 -131.61 110.66 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.4 p -130.26 157.65 41.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.0 t -90.05 152.38 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -110.07 -42.08 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -47.95 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -101.61 -15.11 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.92 129.14 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.554 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 31.1 tttp -175.01 174.87 2.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.89 155.17 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.6 m-85 -159.65 143.36 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.7 m -75.46 -39.6 58.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -115.62 153.17 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.6 ttmt -58.01 -60.79 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' LYS . 83.1 p -37.26 -48.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -53.61 -41.64 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HE3' ' A' ' 30' ' ' LYS . 56.2 tp -73.85 -36.73 64.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.569 HD11 ' HG3' ' A' ' 23' ' ' LYS . 11.6 mm -59.14 -39.71 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -45.21 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 32' ' ' VAL . 13.3 t60 -70.04 -28.0 65.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HE3' HD21 ' A' ' 26' ' ' LEU . 53.5 mttt -70.89 -32.65 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.59 -32.33 31.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.1 m -58.3 -26.78 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -96.57 -60.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 34' ' ' THR . 5.6 t -66.39 84.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.41 -81.27 0.21 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -66.72 140.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -129.64 143.94 50.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -167.26 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -87.77 51.74 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.17 152.58 7.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -174.82 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -59.86 173.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.1 p -116.12 86.43 2.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.489 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -131.27 102.31 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 p -103.4 -52.58 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.43 -107.03 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 43.95 39.98 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -57.5 -42.39 82.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.16 165.14 15.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.437 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -88.62 132.66 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -106.46 115.68 60.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.74 4.57 2.11 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.4 m-85 -132.19 109.21 9.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -132.45 148.58 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 23.1 t -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 m-80 -123.26 -29.42 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.27 -71.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -97.6 -14.91 20.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.03 123.97 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' NZ ' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tttm -175.12 173.2 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -130.71 157.11 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.509 ' CZ ' ' NZ ' ' A' ' 18' ' ' LYS . 97.8 m-85 -158.04 140.83 14.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.7 m -75.41 -31.51 60.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -123.58 162.23 23.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.1 ttmt -66.55 -57.47 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 p -40.35 -55.45 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.14 -35.25 25.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD11 ' HE2' ' A' ' 30' ' ' LYS . 44.5 tp -76.74 -36.73 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.547 HD11 ' HG3' ' A' ' 23' ' ' LYS . 8.7 mm -61.27 -41.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.38 -42.26 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.479 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.7 t60 -71.17 -30.83 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE2' HD11 ' A' ' 26' ' ' LEU . 33.5 mttm -70.03 -24.8 63.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.74 -35.53 82.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.0 m -53.24 -26.55 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -94.53 -48.96 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -43.19 156.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.54 -99.68 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -40.09 147.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 23.3 mmtt -126.54 92.38 45.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.594 0.712 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 140.95 44.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -62.25 135.21 57.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.02 76.8 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 95.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.9 t -94.08 158.13 15.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.2 m 51.33 45.76 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.477 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -110.62 148.58 31.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.92 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -129.81 159.87 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.35 -53.24 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -128.88 117.16 20.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -127.1 154.45 44.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.35 -100.36 2.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -105.84 113.86 27.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 18.9 mttp -78.71 114.07 40.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.676 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.72 4.43 2.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.4 m-85 -130.67 110.96 11.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 p -130.24 157.88 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.2 t -87.12 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -107.23 -11.89 15.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.08 -69.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 4.8 p -97.61 -16.6 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.39 118.86 1.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -175.12 173.9 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.36 157.07 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.3 m-85 -157.85 139.39 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.0 m -74.03 -38.6 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.55 151.92 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.6 ttpm? -60.99 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LYS . 60.8 p -37.92 -50.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.33 -38.79 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' LYS . 62.6 tp -72.7 -37.35 67.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.419 HD11 ' CG ' ' A' ' 23' ' ' LYS . 11.0 mm -60.42 -41.98 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -67.81 -43.37 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 32' ' ' VAL . 7.3 t60 -70.92 -26.3 63.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -74.54 -33.67 62.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.03 45.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.6 m -59.08 -26.66 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 15.2 m-70 -97.93 -52.14 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -40.49 120.04 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.73 178.08 29.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 p -172.3 151.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.375 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -159.26 132.73 4.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.711 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.94 19.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.305 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.3 m -71.47 -54.57 10.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.72 -157.42 49.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 143.98 52.22 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.286 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.0 p -150.1 146.11 26.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -109.93 155.63 21.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.46 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 80.9 p 36.64 42.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.917 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -79.86 -43.08 22.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -175.14 -156.24 14.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLY . 68.9 p 37.44 43.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -119.17 42.96 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.37 148.32 19.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.534 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.28 130.45 36.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 51.7 mttt -120.57 115.51 32.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.542 0.687 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.71 108.01 8.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -130.27 150.3 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.481 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 21.4 t -81.67 159.38 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.2 m-80 -120.37 -34.94 3.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.28 -72.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.5 -14.52 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.37 126.43 2.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 tttp -175.06 174.2 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -134.38 154.43 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 97.7 m-85 -157.57 145.28 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -78.68 -42.04 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.46 162.84 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.4 ttmt -70.04 -59.58 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 28' ' ' VAL . 50.4 m -41.85 -43.73 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -57.61 -37.03 72.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD11 ' HE3' ' A' ' 30' ' ' LYS . 35.6 tp -74.74 -30.93 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 mm -70.31 -35.5 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 24' ' ' SER . 21.9 t -66.9 -41.43 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.715 ' O ' HG22 ' A' ' 32' ' ' VAL . 13.2 t60 -77.62 -30.19 52.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HE3' HD11 ' A' ' 26' ' ' LEU . 49.8 mttt -70.7 -32.09 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.76 -28.77 39.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.9 m -60.93 -27.21 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -96.76 -62.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -63.19 148.14 48.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.1 42.15 85.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -149.94 121.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -113.25 87.09 10.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.586 0.707 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 179.58 3.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -97.4 110.36 22.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.71 -83.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 121.22 7.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.388 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' SER . 58.2 p -89.33 83.95 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' SER . 36.5 t 37.93 41.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.462 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -157.5 148.71 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -157.14 116.03 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.39 -151.59 31.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 60.32 41.06 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.345 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -114.56 -58.45 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.83 -177.69 3.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -122.42 141.11 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 41.9 mttt -94.45 116.13 66.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.517 0.675 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.77 4.58 2.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 62.4 m-85 -133.18 108.28 8.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.89 148.18 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.794 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 15.0 t -78.02 162.23 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.469 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.8 m-80 -121.53 -33.46 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 3.6 mm-40 -58.3 -72.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -99.47 -18.12 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.73 124.96 3.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 28.2 tttm -175.14 173.84 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.66 157.0 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 95.6 m-85 -157.98 143.91 17.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -80.96 -35.05 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -122.99 150.09 43.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.609 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.8 tptp -52.57 -61.3 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' LYS . 58.2 p -34.26 -59.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -47.2 -40.21 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 36.6 tp -72.14 -27.87 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.609 HD11 ' HG3' ' A' ' 23' ' ' LYS . 20.4 mm -69.94 -45.4 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.75 -38.56 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' O ' HG22 ' A' ' 32' ' ' VAL . 9.1 t60 -76.18 -35.04 59.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' THR . 34.4 mttt -67.88 -21.58 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.92 -37.03 93.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.422 HG13 ' H ' ' A' ' 32' ' ' VAL . 3.1 m -52.6 -29.55 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 28.2 m-70 -92.75 -60.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 34' ' ' THR . 10.1 t -75.52 83.44 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.49 -121.79 1.44 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 36' ' ' VAL . 58.7 t -78.26 63.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 5.0 ttpm? -126.04 139.89 35.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 53.0 Cg_endo -69.83 -34.72 13.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.7 m -90.96 174.19 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.73 -158.3 48.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 177.46 5.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.356 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -87.33 170.32 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.5 p -112.27 10.63 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.482 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m -107.14 84.98 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.6 m -111.25 83.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.66 -159.93 5.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 p -117.68 172.48 7.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -124.07 -42.97 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.84 -179.87 17.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -125.8 133.07 52.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 21' ' ' THR . 44.5 mttt -116.79 115.21 39.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.72 4.61 2.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 63.7 m-85 -133.22 110.15 9.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -131.77 141.7 49.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.0 t -69.16 162.01 27.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.2 m-20 -123.45 -33.1 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -60.48 -72.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -97.88 -14.96 20.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.88 124.52 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 35.1 tttt -174.83 172.09 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.76 154.12 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.5 m-85 -155.44 138.74 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.412 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.3 m -76.15 -34.69 59.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -114.37 145.39 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HG3' HD11 ' A' ' 27' ' ' ILE . 27.5 tttt -55.96 -61.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 28' ' ' VAL . 49.9 m -41.55 -43.62 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.79 -37.53 73.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' LYS . 7.1 tp -76.24 -47.69 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.608 ' N ' HD13 ' A' ' 27' ' ' ILE . 2.5 mm -51.03 -42.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 24' ' ' SER . 99.8 t -63.06 -44.58 99.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.571 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 9.0 t60 -69.61 -26.25 64.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -70.94 -28.86 64.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -36.61 72.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.7 m -49.13 -30.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.558 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 22.4 m-70 -91.38 -45.15 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.6 p -45.79 133.31 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.84 58.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 m -82.32 141.14 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -156.41 135.85 8.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' SER . 54.1 Cg_endo -69.76 -2.61 10.48 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' PRO . 41.4 p -34.35 -58.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.23 164.96 21.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 88.15 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -98.37 87.38 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.805 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.4 p -174.65 159.95 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.526 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -68.77 139.83 55.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -107.75 80.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.44 164.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -112.45 88.64 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -89.89 108.11 19.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.63 131.68 3.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -96.46 130.67 43.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 21.5 mttp -78.11 116.37 58.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.75 4.32 2.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.8 m-85 -130.58 110.96 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -128.91 158.85 37.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 13.1 t -94.99 152.26 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -109.75 -41.84 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -46.77 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.3 p -101.86 -18.31 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 127.4 4.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD3' ' ND1' ' A' ' 29' ' ' HIS . 26.1 tttp -175.29 175.27 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.2 155.99 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' TYR . 99.6 m-85 -159.04 146.33 17.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -80.47 -41.3 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 156.49 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HG3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -56.6 -64.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' LYS . 53.2 p -34.04 -56.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.06 -42.65 29.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.0 tp -72.85 -32.94 65.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.624 HD11 ' HG3' ' A' ' 23' ' ' LYS . 18.4 mm -64.41 -40.97 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.25 -42.0 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.464 ' O ' HG22 ' A' ' 32' ' ' VAL . 17.4 t60 -73.14 -31.65 64.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 34' ' ' THR . 65.6 mttt -70.01 -27.51 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.67 -30.69 59.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 29' ' ' HIS . 2.8 m -59.99 -25.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 111.124 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -95.19 -27.55 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 30' ' ' LYS . 6.0 p -90.44 45.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.76 -115.94 3.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 36' ' ' VAL . 8.4 p -131.21 12.52 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -127.51 142.33 43.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -178.97 2.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -45.11 136.7 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.68 83.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.5 Cg_endo -69.8 102.08 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.621 2.214 . . . . 0.0 112.344 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' PRO . 58.4 p 37.79 41.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -157.05 110.45 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.496 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -132.04 -46.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p 44.12 42.83 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.31 99.14 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -85.92 120.74 27.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -64.32 138.05 58.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.44 -172.9 18.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -144.03 125.63 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 46.0 mttt -96.02 117.0 66.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.76 4.34 2.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.7 m-85 -132.54 110.24 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -129.53 151.68 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 10.0 t -83.08 154.71 24.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -111.76 -44.4 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.6 mm-40 -45.27 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.8 p -100.48 -15.09 18.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.07 128.45 3.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 15.5 tttp -175.27 175.1 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.35 155.96 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 m-85 -157.51 138.98 13.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -76.31 -34.17 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -117.37 146.46 43.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 10.8 tttp -54.62 -58.45 7.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 28' ' ' VAL . 57.1 p -42.97 -52.56 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.46 -35.24 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.9 tp -76.47 -51.5 11.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 27' ' ' ILE . 2.9 mm -49.12 -41.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 24' ' ' SER . 39.2 t -62.95 -43.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 32' ' ' VAL . 7.5 t60 -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.9 -31.87 69.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.43 -35.73 61.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.4 m -49.71 -26.4 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.1 m-70 -98.09 -49.4 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' HIS . 68.4 p -37.09 -33.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' HIS . . . -106.74 -172.8 22.83 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -51.29 140.59 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.922 0.391 . . . . 0.0 111.101 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -132.27 144.02 51.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.515 0.674 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 145.99 58.71 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.278 . . . . 0.0 112.312 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.3 p -65.15 115.48 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.27 146.1 16.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 88.23 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -70.55 -46.64 63.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -170.33 157.86 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.477 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.71 4.53 2.11 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.6 110.38 10.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -134.11 146.66 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.75 158.59 28.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -35.01 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.63 -67.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -98.5 -35.41 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.5 118.95 4.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 28.7 tttp -174.08 172.43 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.88 157.62 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . 99.1 m-85 -158.41 141.29 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -75.12 -39.26 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.8 154.31 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.1 ttmt -59.49 -58.38 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.5 p -39.93 -55.12 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -48.68 -36.68 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 54.5 tp -76.17 -37.09 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' A' ' 23' ' ' LYS . 13.0 mm -59.97 -39.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.91 -45.78 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.155 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.0 t60 -67.49 -26.47 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 46.1 mttm -75.98 -29.56 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.51 -27.92 35.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -62.93 -29.32 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 29.0 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.539 0.685 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.81 4.35 2.27 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.13 109.91 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.2 p -134.19 145.47 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.33 154.21 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -115.71 -36.56 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.74 -68.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.5 p -97.01 -36.27 10.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.63 116.85 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -174.21 171.7 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.21 158.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.1 m-85 -157.25 139.56 14.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -75.49 -39.5 58.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.11 151.74 27.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 30.7 tttm -59.1 -60.79 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LYS . 32.8 t -36.71 -54.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -48.23 -40.39 24.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' LYS . 52.2 tp -73.36 -30.07 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.2 mm -70.49 -35.8 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.74 -40.64 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.522 ' O ' HG22 ' A' ' 32' ' ' VAL . 3.9 t60 -72.45 -28.38 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -74.56 -31.8 62.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.64 -30.35 34.79 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 29' ' ' HIS . 4.3 m -57.04 -34.07 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.388 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttp . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.79 4.4 2.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.65 110.12 10.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 p -133.07 145.66 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.32 156.33 29.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.8 -35.74 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.94 -67.77 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 p -100.67 -37.55 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.35 118.72 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -174.57 172.77 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.45 159.86 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 m-85 -160.11 144.14 14.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -79.96 -37.58 34.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.99 154.74 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HG3' HD11 ' A' ' 27' ' ' ILE . 31.4 tptt -57.5 -65.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' LYS . 11.9 p -34.29 -45.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.06 -45.24 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.9 tp -70.96 -30.4 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.556 HD11 ' HG3' ' A' ' 23' ' ' LYS . 19.0 mm -64.81 -43.95 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 24' ' ' SER . 46.8 t -63.93 -42.66 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.661 ' O ' HG22 ' A' ' 32' ' ' VAL . 11.7 t60 -71.52 -29.16 64.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -72.18 -30.63 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 -25.83 56.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 29' ' ' HIS . 4.3 m -62.24 -25.88 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 38.5 mttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.567 0.699 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.75 4.09 2.39 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.79 109.79 9.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -133.53 137.21 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.64 161.65 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.32 -36.76 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.93 -69.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.0 p -96.06 -39.58 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.7 118.38 3.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 26.8 tttp -174.13 170.12 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -124.99 159.35 31.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.2 m-85 -159.65 143.57 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 m -82.09 -31.89 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -124.9 154.35 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.623 ' HG3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -57.88 -61.45 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LYS . 28.4 m -35.81 -53.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -52.85 -39.68 62.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' LYS . 42.4 tp -72.86 -30.97 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 23' ' ' LYS . 17.9 mm -65.6 -43.22 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.39 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' O ' HG22 ' A' ' 32' ' ' VAL . 11.6 t60 -75.25 -28.08 59.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -75.59 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.24 49.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.8 m -54.11 -38.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.158 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 37.7 mttt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.617 0.722 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 4.5 2.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -129.6 110.06 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 p -132.03 149.23 52.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.69 156.36 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -117.21 -37.19 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.25 -67.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 p -100.9 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.61 121.32 4.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 29.3 tttt -175.0 173.69 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.71 159.57 36.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 95.3 m-85 -161.32 141.71 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -77.82 -32.04 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -120.31 152.72 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' HD11 ' A' ' 27' ' ' ILE . 3.9 ttmt -60.35 -56.35 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -41.2 -55.05 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -50.3 -35.01 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.8 tp -76.53 -36.09 57.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 ' HG3' ' A' ' 23' ' ' LYS . 7.3 mm -63.47 -41.23 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.93 -41.15 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.578 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 10.6 t60 -73.27 -25.59 60.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -76.92 -23.57 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.52 -24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 2.7 m -62.87 -25.54 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 14.6 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.562 0.696 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.42 108.49 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 m -133.79 134.89 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.91 158.59 30.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -119.43 -36.58 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.61 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 p -93.31 -39.53 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.92 116.56 3.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -174.24 170.88 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -125.29 158.57 33.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.2 m-85 -157.82 138.86 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -75.91 -39.31 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -115.12 146.55 41.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.68 ' HG3' HD11 ' A' ' 27' ' ' ILE . 1.8 tppp? -53.26 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.2 t -33.77 -54.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -48.79 -43.49 38.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 55.4 tp -72.97 -35.3 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.68 HD11 ' HG3' ' A' ' 23' ' ' LYS . 16.0 mm -60.69 -38.19 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.6 t -71.45 -46.54 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.472 ' O ' HG22 ' A' ' 32' ' ' VAL . 6.3 t60 -64.35 -26.78 68.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 37.9 mttm -74.19 -28.91 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.62 50.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.2 m -60.92 -32.12 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 26.5 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.14 109.68 9.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -134.61 135.08 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.68 160.4 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.26 -37.91 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.22 -66.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 p -98.8 -37.08 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.4 118.93 3.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.587 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 32.8 tttt -174.34 172.49 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.26 157.98 38.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.8 m-85 -158.32 141.53 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -78.52 -31.92 47.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.91 149.3 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.714 ' HG3' HD11 ' A' ' 27' ' ' ILE . 1.6 tppp? -53.65 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' LYS . 65.0 m -34.31 -56.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -48.26 -41.86 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 51.5 tp -72.58 -39.39 67.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.714 HD11 ' HG3' ' A' ' 23' ' ' LYS . 11.4 mm -57.82 -40.97 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.54 -46.78 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 8.3 t60 -67.22 -27.07 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -75.35 -32.76 60.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.04 -32.91 28.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -57.1 -35.02 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 23.3 mttm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.76 4.41 2.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.0 m-85 -131.29 110.86 11.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.6 p -131.58 157.45 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 31.4 t -86.34 158.86 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -118.19 -32.6 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.72 -72.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.2 p -100.07 -13.85 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.37 127.5 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 26.7 tttp -175.0 173.71 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -131.95 155.12 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 94.6 m-85 -158.99 141.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -77.43 -37.05 52.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -111.01 152.77 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 12.0 tttp -61.83 -60.5 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 p -38.92 -48.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.28 -39.55 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' LYS . 41.3 tp -74.01 -35.03 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.1 -41.31 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.97 -42.92 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 14.3 t60 -70.29 -29.72 66.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HE2' HD11 ' A' ' 26' ' ' LEU . 37.9 mttm -71.72 -24.3 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.42 -29.45 71.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 29' ' ' HIS . 2.6 m -61.23 -24.63 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 24.5 mttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.69 4.36 2.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.328 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -128.83 108.45 10.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 p -129.17 151.42 49.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.59 156.32 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.2 -35.16 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.8 -68.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.21 -37.84 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 119.84 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.518 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 46.1 tttt -175.22 174.42 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.63 156.51 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.472 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 91.9 m-85 -156.47 142.13 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.8 m -70.95 -45.26 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -110.97 159.05 18.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 20.4 ttmt -64.42 -56.78 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 p -41.51 -46.78 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -56.48 -35.86 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' LYS . 49.2 tp -76.67 -37.78 55.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.1 mm -57.94 -41.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.23 -45.78 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 7.9 t60 -67.2 -26.22 66.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -73.6 -31.49 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.03 -38.01 37.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 m -50.04 -33.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.523 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 9.2 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 69.7 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.83 4.92 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.8 m-85 -130.12 111.17 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 p -129.05 161.69 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.5 t -89.05 161.14 16.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.0 m-20 -119.13 -33.78 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 8.3 mm-40 -60.63 -72.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.23 -14.52 18.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 127.55 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 18.5 tttp -175.16 174.58 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.47 156.35 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.3 m-85 -157.39 140.52 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 9.4 m -77.57 -36.3 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -116.18 148.46 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 9.2 tttp -55.16 -61.19 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.413 ' O ' HG23 ' A' ' 28' ' ' VAL . 68.2 p -40.03 -50.24 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -52.44 -37.65 57.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD11 ' HE3' ' A' ' 30' ' ' LYS . 42.4 tp -75.95 -37.17 58.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' A' ' 23' ' ' LYS . 6.2 mm -60.64 -41.1 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 24' ' ' SER . 45.4 t -65.1 -43.07 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.634 ' O ' HG22 ' A' ' 32' ' ' VAL . 9.2 t60 -70.39 -31.33 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE3' HD11 ' A' ' 26' ' ' LEU . 46.7 mttt -70.03 -28.38 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.5 -26.7 57.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.2 m -61.62 -25.66 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 22.3 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 30.6 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.523 0.678 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.0 Cg_endo -69.84 4.92 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.12 109.47 10.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.46 149.13 52.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 25.2 t -78.35 162.0 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 m-80 -123.35 -24.51 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 mm-40 -70.36 -71.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.66 -15.94 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.73 123.36 2.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 15.9 tttp -175.0 173.22 2.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.53 157.56 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.076 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 26' ' ' LEU . 97.3 m-85 -157.24 140.32 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -76.03 -37.88 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -118.71 151.1 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 2.6 ttmm -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.1 t -37.29 -55.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -48.96 -38.94 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 20' ' ' PHE . 39.3 tp -76.36 -31.47 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.48 -40.0 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t -67.74 -45.14 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 7.9 t60 -67.96 -29.79 68.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -72.16 -24.55 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.94 -36.27 79.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.419 HG13 ' H ' ' A' ' 32' ' ' VAL . 2.7 m -54.92 -24.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.7 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 58.7 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 4.61 2.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.26 110.3 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -128.62 162.38 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.1 t -95.16 154.56 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -111.85 -41.39 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 5.1 mm-40 -49.29 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.24 -14.23 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.17 129.24 3.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 28.8 tttp -174.97 174.24 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.01 153.38 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 94.7 m-85 -156.9 140.18 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.409 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.6 m -73.78 -31.5 63.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -122.28 155.65 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.0 ttmt -62.52 -58.94 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 m -38.31 -52.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -52.38 -38.42 58.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LYS . 45.2 tp -74.3 -36.02 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.422 HD11 ' HG3' ' A' ' 23' ' ' LYS . 12.1 mm -61.3 -37.72 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.55 -46.03 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.1 t60 -69.28 -26.97 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -72.1 -29.2 63.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.53 -34.75 55.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 29' ' ' HIS . 2.9 m -54.1 -31.96 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.472 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 14.7 mttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.77 4.51 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.1 m-85 -131.61 110.66 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.4 p -130.26 157.65 41.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.0 t -90.05 152.38 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -110.07 -42.08 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -47.95 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -101.61 -15.11 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.92 129.14 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.554 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 31.1 tttp -175.01 174.87 2.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.89 155.17 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.6 m-85 -159.65 143.36 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.7 m -75.46 -39.6 58.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -115.62 153.17 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.6 ttmt -58.01 -60.79 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' LYS . 83.1 p -37.26 -48.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -53.61 -41.64 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HE3' ' A' ' 30' ' ' LYS . 56.2 tp -73.85 -36.73 64.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.569 HD11 ' HG3' ' A' ' 23' ' ' LYS . 11.6 mm -59.14 -39.71 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -45.21 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 32' ' ' VAL . 13.3 t60 -70.04 -28.0 65.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HE3' HD21 ' A' ' 26' ' ' LEU . 53.5 mttt -70.89 -32.65 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.59 -32.33 31.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.1 m -58.3 -26.78 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.74 4.57 2.11 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.4 m-85 -132.19 109.21 9.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -132.45 148.58 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 23.1 t -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 m-80 -123.26 -29.42 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.27 -71.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -97.6 -14.91 20.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.03 123.97 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' NZ ' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tttm -175.12 173.2 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -130.71 157.11 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.509 ' CZ ' ' NZ ' ' A' ' 18' ' ' LYS . 97.8 m-85 -158.04 140.83 14.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.7 m -75.41 -31.51 60.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -123.58 162.23 23.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.1 ttmt -66.55 -57.47 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 p -40.35 -55.45 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.14 -35.25 25.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD11 ' HE2' ' A' ' 30' ' ' LYS . 44.5 tp -76.74 -36.73 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.547 HD11 ' HG3' ' A' ' 23' ' ' LYS . 8.7 mm -61.27 -41.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.38 -42.26 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.479 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.7 t60 -71.17 -30.83 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE2' HD11 ' A' ' 26' ' ' LEU . 33.5 mttm -70.03 -24.8 63.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.74 -35.53 82.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.0 m -53.24 -26.55 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 18.9 mttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.519 0.676 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.72 4.43 2.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.4 m-85 -130.67 110.96 11.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 p -130.24 157.88 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.2 t -87.12 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.552 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -107.23 -11.89 15.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.08 -69.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 4.8 p -97.61 -16.6 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.39 118.86 1.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -175.12 173.9 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.36 157.07 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.3 m-85 -157.85 139.39 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.0 m -74.03 -38.6 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.55 151.92 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.6 ttpm? -60.99 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LYS . 60.8 p -37.92 -50.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.33 -38.79 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' LYS . 62.6 tp -72.7 -37.35 67.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.419 HD11 ' CG ' ' A' ' 23' ' ' LYS . 11.0 mm -60.42 -41.98 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -67.81 -43.37 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 32' ' ' VAL . 7.3 t60 -70.92 -26.3 63.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -74.54 -33.67 62.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.03 45.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.6 m -59.08 -26.66 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 15.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 51.7 mttt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.542 0.687 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.71 108.01 8.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -130.27 150.3 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.481 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 21.4 t -81.67 159.38 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.412 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.2 m-80 -120.37 -34.94 3.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.28 -72.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.5 -14.52 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.37 126.43 2.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 tttp -175.06 174.2 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -134.38 154.43 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 97.7 m-85 -157.57 145.28 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -78.68 -42.04 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.46 162.84 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.4 ttmt -70.04 -59.58 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 28' ' ' VAL . 50.4 m -41.85 -43.73 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -57.61 -37.03 72.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD11 ' HE3' ' A' ' 30' ' ' LYS . 35.6 tp -74.74 -30.93 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 mm -70.31 -35.5 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 24' ' ' SER . 21.9 t -66.9 -41.43 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.715 ' O ' HG22 ' A' ' 32' ' ' VAL . 13.2 t60 -77.62 -30.19 52.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HE3' HD11 ' A' ' 26' ' ' LEU . 49.8 mttt -70.7 -32.09 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.76 -28.77 39.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.9 m -60.93 -27.21 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 41.9 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.517 0.675 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.77 4.58 2.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 62.4 m-85 -133.18 108.28 8.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.89 148.18 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.794 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 15.0 t -78.02 162.23 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.469 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.8 m-80 -121.53 -33.46 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 3.6 mm-40 -58.3 -72.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -99.47 -18.12 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.73 124.96 3.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 28.2 tttm -175.14 173.84 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.66 157.0 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 95.6 m-85 -157.98 143.91 17.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -80.96 -35.05 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -122.99 150.09 43.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.609 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.8 tptp -52.57 -61.3 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' LYS . 58.2 p -34.26 -59.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -47.2 -40.21 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 36.6 tp -72.14 -27.87 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.609 HD11 ' HG3' ' A' ' 23' ' ' LYS . 20.4 mm -69.94 -45.4 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.75 -38.56 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' O ' HG22 ' A' ' 32' ' ' VAL . 9.1 t60 -76.18 -35.04 59.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -67.88 -21.58 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.92 -37.03 93.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.1 m -52.6 -29.55 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 28.2 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 21' ' ' THR . 44.5 mttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.72 4.61 2.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 63.7 m-85 -133.22 110.15 9.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -131.77 141.7 49.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.0 t -69.16 162.01 27.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.2 m-20 -123.45 -33.1 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -60.48 -72.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -97.88 -14.96 20.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.88 124.52 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 35.1 tttt -174.83 172.09 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.76 154.12 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.5 m-85 -155.44 138.74 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.412 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.3 m -76.15 -34.69 59.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -114.37 145.39 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HG3' HD11 ' A' ' 27' ' ' ILE . 27.5 tttt -55.96 -61.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 28' ' ' VAL . 49.9 m -41.55 -43.62 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.79 -37.53 73.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' LYS . 7.1 tp -76.24 -47.69 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.608 HD13 ' N ' ' A' ' 27' ' ' ILE . 2.5 mm -51.03 -42.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 24' ' ' SER . 99.8 t -63.06 -44.58 99.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.571 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 9.0 t60 -69.61 -26.25 64.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -70.94 -28.86 64.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -36.61 72.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.7 m -49.13 -30.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.558 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 22.4 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 21.5 mttp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.75 4.32 2.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.8 m-85 -130.58 110.96 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -128.91 158.85 37.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 13.1 t -94.99 152.26 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -109.75 -41.84 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -46.77 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.3 p -101.86 -18.31 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 127.4 4.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD3' ' ND1' ' A' ' 29' ' ' HIS . 26.1 tttp -175.29 175.27 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.2 155.99 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' TYR . 99.6 m-85 -159.04 146.33 17.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -80.47 -41.3 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 156.49 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HG3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -56.6 -64.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' LYS . 53.2 p -34.04 -56.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.06 -42.65 29.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.0 tp -72.85 -32.94 65.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.624 HD11 ' HG3' ' A' ' 23' ' ' LYS . 18.4 mm -64.41 -40.97 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.25 -42.0 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.464 ' O ' HG22 ' A' ' 32' ' ' VAL . 17.4 t60 -73.14 -31.65 64.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -70.01 -27.51 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.67 -30.69 59.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 29' ' ' HIS . 2.8 m -59.99 -25.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 111.124 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 46.0 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.76 4.34 2.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.7 m-85 -132.54 110.24 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -129.53 151.68 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 10.0 t -83.08 154.71 24.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -111.76 -44.4 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.6 mm-40 -45.27 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.8 p -100.48 -15.09 18.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.07 128.45 3.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 15.5 tttp -175.27 175.1 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.35 155.96 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 m-85 -157.51 138.98 13.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -76.31 -34.17 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -117.37 146.46 43.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 10.8 tttp -54.62 -58.45 7.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 28' ' ' VAL . 57.1 p -42.97 -52.56 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.46 -35.24 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.9 tp -76.47 -51.5 11.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.541 HD13 ' N ' ' A' ' 27' ' ' ILE . 2.9 mm -49.12 -41.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 24' ' ' SER . 39.2 t -62.95 -43.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 32' ' ' VAL . 7.5 t60 -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.9 -31.87 69.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.43 -35.73 61.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.4 m -49.71 -26.4 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.1 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -94.11 94.95 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.0 p -147.62 129.54 15.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.85 -57.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -50.8 125.3 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -142.47 127.35 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.59 -94.59 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -140.65 131.82 26.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -141.21 114.45 6.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.71 4.53 2.11 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.6 110.38 10.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -134.11 146.66 50.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -78.75 158.59 28.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.53 -35.01 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.63 -67.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -98.5 -35.41 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.5 118.95 4.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 28.7 tttp -174.08 172.43 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.749 0.309 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.88 157.62 41.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' TYR . 99.1 m-85 -158.41 141.29 14.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -75.12 -39.26 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -114.8 154.31 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.1 ttmt -59.49 -58.38 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 83.5 p -39.93 -55.12 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -48.68 -36.68 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 54.5 tp -76.17 -37.09 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' A' ' 23' ' ' LYS . 13.0 mm -59.97 -39.42 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.91 -45.78 86.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.155 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.0 t60 -67.49 -26.47 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.422 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 46.1 mttm -75.98 -29.56 58.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.51 -27.92 35.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -62.93 -29.32 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.909 0.385 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -91.02 -63.03 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -62.7 125.83 25.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.54 86.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 m -83.54 19.22 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -149.02 143.94 17.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -1.37 8.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.9 m -76.35 55.62 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 43.66 -158.28 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.58 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.277 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.2 p -38.99 -53.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.6 m -117.28 168.33 10.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.498 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -50.1 123.73 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -155.11 148.79 25.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.06 -167.27 26.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -158.86 167.31 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -126.55 87.46 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.56 118.36 1.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -125.91 148.19 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.94 0.4 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 29.0 mttt -97.9 115.32 65.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.539 0.685 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.81 4.35 2.27 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.638 2.225 . . . . 0.0 112.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.13 109.91 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.2 p -134.19 145.47 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -80.33 154.21 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -115.71 -36.56 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.74 -68.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.5 p -97.01 -36.27 10.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.63 116.85 4.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -174.21 171.7 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.786 0.327 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.21 158.42 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.1 m-85 -157.25 139.56 14.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -75.49 -39.5 58.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.11 151.74 27.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 30.7 tttm -59.1 -60.79 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LYS . 32.8 t -36.71 -54.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -48.23 -40.39 24.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' LYS . 52.2 tp -73.36 -30.07 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.2 mm -70.49 -35.8 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.74 -40.64 61.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.522 ' O ' HG22 ' A' ' 32' ' ' VAL . 3.9 t60 -72.45 -28.38 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -74.56 -31.8 62.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.64 -30.35 34.79 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 29' ' ' HIS . 4.3 m -57.04 -34.07 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.388 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -87.5 -61.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 34' ' ' THR . 5.1 t -72.11 107.14 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.158 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.97 -161.09 35.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.63 146.53 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 20.3 ttmm -141.06 139.61 19.65 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.77 162.98 39.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.368 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 t -84.73 143.66 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.98 -158.65 7.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 81.16 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.292 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.4 p 41.12 39.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 m -93.16 81.38 4.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.505 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -163.75 168.87 19.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -50.44 164.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.89 176.91 28.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -146.64 114.17 6.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -110.62 95.19 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.72 162.97 23.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -98.49 133.18 43.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -110.38 115.51 54.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.79 4.4 2.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.65 110.12 10.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 p -133.07 145.66 50.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.0 t -78.32 156.33 29.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.8 -35.74 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -52.94 -67.77 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.3 p -100.67 -37.55 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.35 118.72 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -174.57 172.77 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.45 159.86 33.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.9 m-85 -160.11 144.14 14.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.3 m -79.96 -37.58 34.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.99 154.74 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HG3' HD11 ' A' ' 27' ' ' ILE . 31.4 tptt -57.5 -65.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' LYS . 11.9 p -34.29 -45.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.06 -45.24 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.9 tp -70.96 -30.4 66.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.556 HD11 ' HG3' ' A' ' 23' ' ' LYS . 19.0 mm -64.81 -43.95 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 24' ' ' SER . 46.8 t -63.93 -42.66 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.661 ' O ' HG22 ' A' ' 32' ' ' VAL . 11.7 t60 -71.52 -29.16 64.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -72.18 -30.63 65.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 -25.83 56.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 29' ' ' HIS . 4.3 m -62.24 -25.88 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -95.27 -21.33 18.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 p -89.9 47.86 1.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.94 -68.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -140.78 119.26 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 18.5 ttpp -171.62 139.89 1.16 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.576 0.703 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.7 Cg_endo -69.76 87.8 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.388 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -111.13 78.87 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.16 145.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 122.14 8.81 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.332 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t 47.81 45.06 18.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.2 m -109.87 41.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.474 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 m 62.34 42.25 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -90.36 153.44 20.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.43 -123.46 5.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 p -100.31 146.03 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.364 . . . . 0.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -95.84 93.31 6.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.01 -154.37 16.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -137.05 130.85 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 38.5 mttt -108.79 115.9 56.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.75 4.09 2.39 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.79 109.79 9.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -133.53 137.21 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.64 161.65 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.32 -36.76 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.93 -69.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.0 p -96.06 -39.58 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.7 118.38 3.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 26.8 tttp -174.13 170.12 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -124.99 159.35 31.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.2 m-85 -159.65 143.57 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.3 m -82.09 -31.89 30.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -124.9 154.35 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.623 ' HG3' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -57.88 -61.45 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 23' ' ' LYS . 28.4 m -35.81 -53.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -52.85 -39.68 62.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' LYS . 42.4 tp -72.86 -30.97 64.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 23' ' ' LYS . 17.9 mm -65.6 -43.22 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.7 t -63.39 -39.57 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' O ' HG22 ' A' ' 32' ' ' VAL . 11.6 t60 -75.25 -28.08 59.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 34' ' ' THR . 51.4 mttt -75.59 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.24 49.65 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.8 m -54.11 -38.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 111.158 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -84.47 -44.93 13.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 30' ' ' LYS . 70.1 p -42.49 124.91 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.47 -82.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.71 133.71 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -142.61 148.3 46.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.569 0.699 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 87.84 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.373 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -54.83 140.51 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.75 169.28 36.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.436 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.15 64.25 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.7 p 38.15 42.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 m -59.06 135.46 57.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.473 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -106.23 -19.57 13.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -72.32 138.09 47.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.79 102.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -102.79 160.37 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 t -99.92 -59.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.76 -170.48 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -129.17 130.27 46.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 37.7 mttt -94.25 112.52 57.79 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.74 4.5 2.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -129.6 110.06 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 p -132.03 149.23 52.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.69 156.36 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -117.21 -37.19 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.25 -67.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 p -100.9 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.61 121.32 4.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.536 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 29.3 tttt -175.0 173.69 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -129.71 159.57 36.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.509 ' CG ' ' O ' ' A' ' 19' ' ' ALA . 95.3 m-85 -161.32 141.71 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -77.82 -32.04 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -120.31 152.72 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' HD11 ' A' ' 27' ' ' ILE . 3.9 ttmt -60.35 -56.35 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 p -41.2 -55.05 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -50.3 -35.01 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.8 tp -76.53 -36.09 57.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.5 HD11 ' HG3' ' A' ' 23' ' ' LYS . 7.3 mm -63.47 -41.23 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.0 t -65.93 -41.15 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.578 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 10.6 t60 -73.27 -25.59 60.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 34' ' ' THR . 39.2 mttt -76.92 -23.57 52.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.52 -24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 2.7 m -62.87 -25.54 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 14.6 m-70 -93.72 -41.78 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 30' ' ' LYS . 18.8 p -54.75 117.32 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.19 -77.78 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.8 t -77.3 142.16 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.913 0.387 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -126.53 89.56 51.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.55 0.69 . . . . 0.0 110.933 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.73 31.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.616 2.211 . . . . 0.0 112.377 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -74.23 117.05 15.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.05 -168.79 19.81 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -47.32 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.2 p -95.04 136.61 35.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 m -96.83 125.29 41.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -129.68 138.86 51.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -84.66 -44.34 13.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.86 109.07 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -110.13 118.24 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.398 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -56.23 99.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.51 159.31 11.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -70.98 157.63 37.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.395 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -97.41 115.42 65.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.562 0.696 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.79 4.12 2.39 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.0 m-85 -133.42 108.49 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 m -133.79 134.89 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.91 158.59 30.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -119.43 -36.58 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.61 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.5 p -93.31 -39.53 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.92 116.56 3.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -174.24 170.88 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -125.29 158.57 33.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' TYR . 94.2 m-85 -157.82 138.86 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -75.91 -39.31 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -115.12 146.55 41.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.68 ' HG3' HD11 ' A' ' 27' ' ' ILE . 1.8 tppp? -53.26 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.2 t -33.77 -54.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -48.79 -43.49 38.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 55.4 tp -72.97 -35.3 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.68 HD11 ' HG3' ' A' ' 23' ' ' LYS . 16.0 mm -60.69 -38.19 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.6 t -71.45 -46.54 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.472 ' O ' HG22 ' A' ' 32' ' ' VAL . 6.3 t60 -64.35 -26.78 68.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 26' ' ' LEU . 37.9 mttm -74.19 -28.91 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.85 -29.62 50.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.2 m -60.92 -32.12 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -90.0 -58.71 2.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 34' ' ' THR . 9.2 t -79.01 50.84 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.1 -78.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.99 143.09 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -128.89 143.53 49.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -175.3 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.631 2.22 . . . . 0.0 112.321 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.1 p -126.55 98.84 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 175.89 -158.32 25.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.7 Cg_endo -69.84 2.33 3.68 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' PRO . 12.3 t -34.58 133.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.7 p 50.79 42.22 27.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.501 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -136.0 143.37 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -122.44 161.65 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.24 122.05 5.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -164.61 119.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 m -130.54 99.85 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.29 102.6 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -49.34 133.94 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 26.5 mttt -125.71 114.54 24.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.1 m-85 -133.14 109.68 9.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 m -134.61 135.08 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.68 160.4 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.26 -37.91 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.22 -66.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 p -98.8 -37.08 9.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.4 118.93 3.97 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.587 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 32.8 tttt -174.34 172.49 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.26 157.98 38.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.8 m-85 -158.32 141.53 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.4 m -78.52 -31.92 47.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -124.91 149.3 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.714 ' HG3' HD11 ' A' ' 27' ' ' ILE . 1.6 tppp? -53.65 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' LYS . 65.0 m -34.31 -56.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -48.26 -41.86 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 51.5 tp -72.58 -39.39 67.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.714 HD11 ' HG3' ' A' ' 23' ' ' LYS . 11.4 mm -57.82 -40.97 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.54 -46.78 85.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 8.3 t60 -67.22 -27.07 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -75.35 -32.76 60.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.04 -32.91 28.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -57.1 -35.02 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -86.06 -27.33 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 p -87.3 48.7 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.29 47.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.3 p -138.48 147.81 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 111.124 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.5 141.29 39.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.544 0.688 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.372 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' GLY . 4.1 t -50.16 -178.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.76 146.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.28 3.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -77.18 53.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -133.23 73.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.465 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -50.75 -47.27 59.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -40.88 140.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.81 39.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -89.23 99.87 12.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -171.41 153.69 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.11 -173.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -109.8 144.97 37.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 23.3 mttm -91.51 116.2 65.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.4 Cg_endo -69.76 4.41 2.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.353 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.0 m-85 -131.29 110.86 11.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.6 p -131.58 157.45 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 31.4 t -86.34 158.86 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -118.19 -32.6 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.72 -72.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.2 p -100.07 -13.85 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.37 127.5 2.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 26.7 tttp -175.0 173.71 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -131.95 155.12 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 94.6 m-85 -158.99 141.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -77.43 -37.05 52.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -111.01 152.77 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 12.0 tttp -61.83 -60.5 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.6 p -38.92 -48.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.28 -39.55 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' LYS . 41.3 tp -74.01 -35.03 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -64.1 -41.31 92.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.97 -42.92 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 14.3 t60 -70.29 -29.72 66.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HE2' HD11 ' A' ' 26' ' ' LEU . 37.9 mttm -71.72 -24.3 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.42 -29.45 71.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 29' ' ' HIS . 2.6 m -61.23 -24.63 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -95.47 -14.58 23.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.1 p -93.81 46.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.53 128.79 3.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.6 p -66.45 135.66 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 43.9 tttt -133.55 139.86 35.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 54.1 Cg_endo -69.78 87.45 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.2 p -130.95 41.33 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.18 -75.46 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 162.87 40.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.347 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.0 t -80.81 43.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m 50.07 41.98 24.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.808 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.486 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -104.43 113.64 27.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -55.13 -56.88 14.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.97 122.56 5.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.437 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -128.7 41.39 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -117.73 -45.08 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.57 178.01 48.47 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -125.1 138.47 54.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 24.5 mttp -113.02 114.43 48.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.69 4.36 2.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.328 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -128.83 108.45 10.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 p -129.17 151.42 49.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.5 t -85.59 156.32 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.2 -35.16 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.8 -68.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.21 -37.84 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 119.84 4.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.518 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 46.1 tttt -175.22 174.42 2.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.63 156.51 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.472 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 91.9 m-85 -156.47 142.13 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.8 m -70.95 -45.26 64.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -110.97 159.05 18.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 20.4 ttmt -64.42 -56.78 11.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.3 p -41.51 -46.78 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -56.48 -35.86 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' LYS . 49.2 tp -76.67 -37.78 55.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.1 mm -57.94 -41.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.23 -45.78 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 7.9 t60 -67.2 -26.22 66.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -73.6 -31.49 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.03 -38.01 37.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 3.1 m -50.04 -33.89 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.523 ' CE1' ' CG2' ' A' ' 32' ' ' VAL . 9.2 m-70 -90.29 -54.2 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 34' ' ' THR . 15.4 t -85.12 43.04 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.95 -134.58 5.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.52 145.35 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 111.16 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -157.29 125.29 2.82 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.701 . . . . 0.0 110.958 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 162.97 39.99 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.248 . . . . 0.0 112.377 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -82.46 -60.52 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.34 157.08 3.29 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -46.25 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t 60.97 43.91 11.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -95.08 130.93 41.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.51 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.2 p -87.09 106.28 17.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 p -96.13 125.06 40.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.03 61.71 0.22 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.432 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 p -125.83 -30.55 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -89.89 175.98 7.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.39 -106.41 2.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -63.34 133.84 54.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 69.7 mttt -111.21 109.54 56.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.83 4.92 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.585 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.8 m-85 -130.12 111.17 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.5 p -129.05 161.69 29.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.5 t -89.05 161.14 16.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 2.0 m-20 -119.13 -33.78 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 8.3 mm-40 -60.63 -72.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 p -100.23 -14.52 18.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 127.55 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 18.5 tttp -175.16 174.58 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.47 156.35 44.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.3 m-85 -157.39 140.52 15.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 9.4 m -77.57 -36.3 52.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -116.18 148.46 40.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 9.2 tttp -55.16 -61.19 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.413 ' O ' HG23 ' A' ' 28' ' ' VAL . 68.2 p -40.03 -50.24 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -52.44 -37.65 57.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD11 ' HE3' ' A' ' 30' ' ' LYS . 42.4 tp -75.95 -37.17 58.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' A' ' 23' ' ' LYS . 6.2 mm -60.64 -41.1 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 24' ' ' SER . 45.4 t -65.1 -43.07 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.634 ' O ' HG22 ' A' ' 32' ' ' VAL . 9.2 t60 -70.39 -31.33 68.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE3' HD11 ' A' ' 26' ' ' LEU . 46.7 mttt -70.03 -28.38 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' A' ' 34' ' ' THR . . . -57.5 -26.7 57.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.2 m -61.62 -25.66 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 111.138 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.666 ' O ' HG12 ' A' ' 36' ' ' VAL . 22.3 m-70 -99.29 -62.27 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.818 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.423 ' CG2' ' HA2' ' A' ' 31' ' ' GLY . 8.8 t -55.66 -25.59 40.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' VAL . . . -55.94 -64.56 4.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 33' ' ' HIS . 9.7 p -35.89 146.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -123.93 139.05 31.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.564 0.697 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.21 5.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.0 m -107.05 82.43 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.34 146.27 16.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 143.4 50.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.336 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.1 m 43.23 51.67 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -108.32 -51.26 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.487 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -151.14 141.18 22.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -162.19 132.05 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.95 -72.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m 41.02 41.95 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 t -115.58 -59.51 1.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.92 -141.62 7.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -110.91 170.09 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 30.6 mttt -105.46 113.05 64.67 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.523 0.678 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.0 Cg_endo -69.84 4.92 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.12 109.47 10.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.46 149.13 52.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 25.2 t -78.35 162.0 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 m-80 -123.35 -24.51 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 2.3 mm-40 -70.36 -71.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.66 -15.94 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.73 123.36 2.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 15.9 tttp -175.0 173.22 2.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.53 157.56 40.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.076 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 26' ' ' LEU . 97.3 m-85 -157.24 140.32 15.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -76.03 -37.88 57.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -118.71 151.1 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 2.6 ttmm -55.13 -61.4 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.1 t -37.29 -55.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -48.96 -38.94 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 20' ' ' PHE . 39.3 tp -76.36 -31.47 58.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mm -63.48 -40.0 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.0 t -67.74 -45.14 85.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 7.9 t60 -67.96 -29.79 68.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 34' ' ' THR . 35.1 mttm -72.16 -24.55 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.94 -36.27 79.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG13 ' H ' ' A' ' 32' ' ' VAL . 2.7 m -54.92 -24.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.7 m-70 -95.71 -44.18 7.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 30' ' ' LYS . 30.6 p -57.76 -35.7 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 36' ' ' VAL . . . -58.39 -161.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' GLY . 29.3 m -34.57 146.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -150.56 136.92 11.0 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.555 0.693 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 151.99 69.4 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 t -38.47 142.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -131.06 -173.46 13.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 162.25 42.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 43' ' ' SER . 25.8 t -46.21 -43.02 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' SER . 34.9 m -34.83 140.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.904 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.476 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 t -72.56 -58.72 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -51.43 142.34 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.67 -105.83 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -73.16 122.36 21.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -159.83 108.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -138.34 170.84 23.7 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 80.5 mm-40 -36.33 127.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.894 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 58.7 mttt -114.05 116.29 44.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.543 0.687 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.74 4.61 2.09 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -131.26 110.3 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -128.62 162.38 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.1 t -95.16 154.56 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -111.85 -41.39 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 5.1 mm-40 -49.29 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.24 -14.23 17.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.17 129.24 3.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 28.8 tttp -174.97 174.24 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.01 153.38 51.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 94.7 m-85 -156.9 140.18 15.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.409 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.6 m -73.78 -31.5 63.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -122.28 155.65 35.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.0 ttmt -62.52 -58.94 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.3 m -38.31 -52.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -52.38 -38.42 58.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LYS . 45.2 tp -74.3 -36.02 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.422 HD11 ' HG3' ' A' ' 23' ' ' LYS . 12.1 mm -61.3 -37.72 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.55 -46.03 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.1 t60 -69.28 -26.97 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 34' ' ' THR . 32.0 mttm -72.1 -29.2 63.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.53 -34.75 55.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 29' ' ' HIS . 2.9 m -54.1 -31.96 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.472 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.4 m-70 -90.76 -56.9 3.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 30' ' ' LYS . 1.2 t -83.59 133.28 34.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.6 -42.64 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 p -158.57 132.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 111.116 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -141.8 137.12 15.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 0.0 110.875 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 53.8 Cg_endo -69.77 118.97 6.0 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -46.89 106.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -138.22 164.49 25.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 0.07 6.22 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.7 m -52.11 -61.31 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.8 p -115.94 159.61 21.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -82.16 114.31 20.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -68.44 120.75 15.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.26 132.7 3.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -93.69 85.28 4.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -97.83 146.53 25.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.93 147.14 7.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -84.25 136.97 33.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.395 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 14.7 mttp -93.13 116.42 66.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.77 4.51 2.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.1 m-85 -131.61 110.66 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.4 p -130.26 157.65 41.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 15.0 t -90.05 152.38 21.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -110.07 -42.08 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -47.95 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.4 p -101.61 -15.11 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.92 129.14 4.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.554 ' HG2' ' CE2' ' A' ' 20' ' ' PHE . 31.1 tttp -175.01 174.87 2.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.732 0.301 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.89 155.17 49.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.6 m-85 -159.65 143.36 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.7 m -75.46 -39.6 58.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -115.62 153.17 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.6 ttmt -58.01 -60.79 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' LYS . 83.1 p -37.26 -48.15 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -53.61 -41.64 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD21 ' HE3' ' A' ' 30' ' ' LYS . 56.2 tp -73.85 -36.73 64.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.569 HD11 ' HG3' ' A' ' 23' ' ' LYS . 11.6 mm -59.14 -39.71 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.57 -45.21 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 32' ' ' VAL . 13.3 t60 -70.04 -28.0 65.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' HE3' HD21 ' A' ' 26' ' ' LEU . 53.5 mttt -70.89 -32.65 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.59 -32.33 31.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.1 m -58.3 -26.78 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -96.57 -60.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 34' ' ' THR . 5.6 t -66.39 84.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.41 -81.27 0.21 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -66.72 140.5 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 111.125 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -129.64 143.94 50.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -167.26 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -87.77 51.74 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.17 152.58 7.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -174.82 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -59.86 173.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.1 p -116.12 86.43 2.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.489 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -131.27 102.31 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 p -103.4 -52.58 2.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.43 -107.03 2.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 43.95 39.98 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -57.5 -42.39 82.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.16 165.14 15.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.437 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -88.62 132.66 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -106.46 115.68 60.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.6 Cg_endo -69.74 4.57 2.11 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.333 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 68.4 m-85 -132.19 109.21 9.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -132.45 148.58 52.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 23.1 t -79.33 162.04 25.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.451 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 5.5 m-80 -123.26 -29.42 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.27 -71.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -97.6 -14.91 20.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.03 123.97 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' NZ ' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tttm -175.12 173.2 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -130.71 157.11 43.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.509 ' CZ ' ' NZ ' ' A' ' 18' ' ' LYS . 97.8 m-85 -158.04 140.83 14.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.7 m -75.41 -31.51 60.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -123.58 162.23 23.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.1 ttmt -66.55 -57.47 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 p -40.35 -55.45 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.14 -35.25 25.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD11 ' HE2' ' A' ' 30' ' ' LYS . 44.5 tp -76.74 -36.73 56.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.547 HD11 ' HG3' ' A' ' 23' ' ' LYS . 8.7 mm -61.27 -41.84 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.38 -42.26 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.479 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 12.7 t60 -71.17 -30.83 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HE2' HD11 ' A' ' 26' ' ' LEU . 33.5 mttm -70.03 -24.8 63.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.74 -35.53 82.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.0 m -53.24 -26.55 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.153 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -94.53 -48.96 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -43.19 156.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.54 -99.68 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -40.09 147.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 23.3 mmtt -126.54 92.38 45.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.594 0.712 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 54.0 Cg_endo -69.74 140.95 44.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -62.25 135.21 57.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.02 76.8 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 95.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.9 t -94.08 158.13 15.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.2 m 51.33 45.76 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.477 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -110.62 148.58 31.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.92 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -129.81 159.87 35.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.35 -53.24 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -128.88 117.16 20.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -127.1 154.45 44.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.35 -100.36 2.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -105.84 113.86 27.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 18.9 mttp -78.71 114.07 40.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.676 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.7 Cg_endo -69.72 4.43 2.18 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.372 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.4 m-85 -130.67 110.96 11.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.6 p -130.24 157.88 41.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.2 t -87.12 142.37 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.552 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -107.23 -11.89 15.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.08 -69.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 4.8 p -97.61 -16.6 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.39 118.86 1.28 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -175.12 173.9 2.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.36 157.07 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 11' ' ' TYR . 97.3 m-85 -157.85 139.39 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 6.0 m -74.03 -38.6 63.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.55 151.92 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 5.6 ttpm? -60.99 -57.95 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' LYS . 60.8 p -37.92 -50.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -54.33 -38.79 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' LYS . 62.6 tp -72.7 -37.35 67.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.419 HD11 ' CG ' ' A' ' 23' ' ' LYS . 11.0 mm -60.42 -41.98 89.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -67.81 -43.37 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 32' ' ' VAL . 7.3 t60 -70.92 -26.3 63.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -74.54 -33.67 62.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.08 -30.03 45.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.6 m -59.08 -26.66 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 16' ' ' CYS . 15.2 m-70 -97.93 -52.14 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -40.49 120.04 1.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.73 178.08 29.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 p -172.3 151.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.375 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -159.26 132.73 4.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.711 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.94 19.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.305 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.3 m -71.47 -54.57 10.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.72 -157.42 49.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 143.98 52.22 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.286 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.0 p -150.1 146.11 26.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -109.93 155.63 21.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.46 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 80.9 p 36.64 42.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.917 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -79.86 -43.08 22.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -175.14 -156.24 14.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' GLY . 68.9 p 37.44 43.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -119.17 42.96 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.37 148.32 19.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.534 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.28 130.45 36.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 51.7 mttt -120.57 115.51 32.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.542 0.687 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.0 Cg_endo -69.76 4.36 2.24 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.2 m-85 -132.71 108.01 8.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -130.27 150.3 51.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.481 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 21.4 t -81.67 159.38 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.2 m-80 -120.37 -34.94 3.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.28 -72.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.5 -14.52 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.37 126.43 2.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 20' ' ' PHE . 34.7 tttp -175.06 174.2 2.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -134.38 154.43 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CZ ' ' HE3' ' A' ' 18' ' ' LYS . 97.7 m-85 -157.57 145.28 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -78.68 -42.04 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -106.46 162.84 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 8.4 ttmt -70.04 -59.58 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 28' ' ' VAL . 50.4 m -41.85 -43.73 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -57.61 -37.03 72.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD11 ' HE3' ' A' ' 30' ' ' LYS . 35.6 tp -74.74 -30.93 61.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.5 mm -70.31 -35.5 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 24' ' ' SER . 21.9 t -66.9 -41.43 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.715 ' O ' HG22 ' A' ' 32' ' ' VAL . 13.2 t60 -77.62 -30.19 52.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' HE3' HD11 ' A' ' 26' ' ' LEU . 49.8 mttt -70.7 -32.09 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.76 -28.77 39.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.9 m -60.93 -27.21 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -96.76 -62.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -63.19 148.14 48.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.1 42.15 85.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -149.94 121.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -113.25 87.09 10.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.586 0.707 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 179.58 3.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 t -97.4 110.36 22.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 166.71 -83.32 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 121.22 7.92 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.245 . . . . 0.0 112.388 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 43' ' ' SER . 58.2 p -89.33 83.95 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 42' ' ' SER . 36.5 t 37.93 41.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.462 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -157.5 148.71 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -157.14 116.03 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.39 -151.59 31.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 60.32 41.06 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.345 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -114.56 -58.45 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.83 -177.69 3.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -122.42 141.11 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 41.9 mttt -94.45 116.13 66.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.517 0.675 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 54.1 Cg_endo -69.77 4.58 2.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 62.4 m-85 -133.18 108.28 8.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.89 148.18 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.794 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 14' ' ' ASN . 15.0 t -78.02 162.23 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.469 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 1.8 m-80 -121.53 -33.46 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 3.6 mm-40 -58.3 -72.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 p -99.47 -18.12 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.73 124.96 3.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 13' ' ' CYS . 28.2 tttm -175.14 173.84 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.821 0.343 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -127.66 157.0 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 11' ' ' TYR . 95.6 m-85 -157.98 143.91 17.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 m -80.96 -35.05 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -122.99 150.09 43.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.609 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.8 tptp -52.57 -61.3 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' LYS . 58.2 p -34.26 -59.89 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -47.2 -40.21 15.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' LYS . 36.6 tp -72.14 -27.87 62.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.609 HD11 ' HG3' ' A' ' 23' ' ' LYS . 20.4 mm -69.94 -45.4 76.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.75 -38.56 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' O ' HG22 ' A' ' 32' ' ' VAL . 9.1 t60 -76.18 -35.04 59.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 34' ' ' THR . 34.4 mttt -67.88 -21.58 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.92 -37.03 93.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.1 m -52.6 -29.55 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 28.2 m-70 -92.75 -60.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 34' ' ' THR . 10.1 t -75.52 83.44 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.49 -121.79 1.44 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 36' ' ' VAL . 58.7 t -78.26 63.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 5.0 ttpm? -126.04 139.89 35.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' LYS . 53.0 Cg_endo -69.83 -34.72 13.78 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.7 m -90.96 174.19 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.73 -158.3 48.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 177.46 5.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.356 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -87.33 170.32 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.5 p -112.27 10.63 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.482 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 m -107.14 84.98 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.6 m -111.25 83.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.66 -159.93 5.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 p -117.68 172.48 7.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -124.07 -42.97 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.84 -179.87 17.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -125.8 133.07 52.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.388 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 21' ' ' THR . 44.5 mttt -116.79 115.21 39.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.9 Cg_endo -69.72 4.61 2.07 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 63.7 m-85 -133.22 110.15 9.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -131.77 141.7 49.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 24.0 t -69.16 162.01 27.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.2 m-20 -123.45 -33.1 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.5 mm-40 -60.48 -72.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.2 p -97.88 -14.96 20.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.88 124.52 2.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 35.1 tttt -174.83 172.09 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.76 154.12 47.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 98.5 m-85 -155.44 138.74 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.412 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 18.3 m -76.15 -34.69 59.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -114.37 145.39 41.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HG3' HD11 ' A' ' 27' ' ' ILE . 27.5 tttt -55.96 -61.87 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 28' ' ' VAL . 49.9 m -41.55 -43.62 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.79 -37.53 73.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' LYS . 7.1 tp -76.24 -47.69 23.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.608 HD13 ' N ' ' A' ' 27' ' ' ILE . 2.5 mm -51.03 -42.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 24' ' ' SER . 99.8 t -63.06 -44.58 99.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.571 ' CE1' ' HD3' ' A' ' 18' ' ' LYS . 9.0 t60 -69.61 -26.25 64.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.823 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -70.94 -28.86 64.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.65 -36.61 72.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 29' ' ' HIS . 3.7 m -49.13 -30.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.558 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 22.4 m-70 -91.38 -45.15 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.6 p -45.79 133.31 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.84 58.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.464 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 m -82.32 141.14 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -156.41 135.85 8.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' SER . 54.1 Cg_endo -69.76 -2.61 10.48 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' PRO . 41.4 p -34.35 -58.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.23 164.96 21.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 88.15 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 t -98.37 87.38 3.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.805 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.4 p -174.65 159.95 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.526 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -68.77 139.83 55.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -107.75 80.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.44 164.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -112.45 88.64 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -89.89 108.11 19.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.63 131.68 3.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -96.46 130.67 43.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 20' ' ' PHE . 21.5 mttp -78.11 116.37 58.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.8 Cg_endo -69.75 4.32 2.26 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 66.8 m-85 -130.58 110.96 11.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 p -128.91 158.85 37.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 13.1 t -94.99 152.26 18.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -109.75 -41.84 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -46.77 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.3 p -101.86 -18.31 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 127.4 4.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD3' ' ND1' ' A' ' 29' ' ' HIS . 26.1 tttp -175.29 175.27 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -132.2 155.99 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' TYR . 99.6 m-85 -159.04 146.33 17.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 m -80.47 -41.3 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 156.49 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HG3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -56.6 -64.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' LYS . 53.2 p -34.04 -56.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -48.06 -42.65 29.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' LYS . 50.0 tp -72.85 -32.94 65.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.624 HD11 ' HG3' ' A' ' 23' ' ' LYS . 18.4 mm -64.41 -40.97 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -64.25 -42.0 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.464 ' O ' HG22 ' A' ' 32' ' ' VAL . 17.4 t60 -73.14 -31.65 64.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 34' ' ' THR . 65.6 mttt -70.01 -27.51 64.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.67 -30.69 59.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 29' ' ' HIS . 2.8 m -59.99 -25.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 111.124 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -95.19 -27.55 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 30' ' ' LYS . 6.0 p -90.44 45.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.76 -115.94 3.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 36' ' ' VAL . 8.4 p -131.21 12.52 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -127.51 142.33 43.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -178.97 2.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -45.11 136.7 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.68 83.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' SER . 53.5 Cg_endo -69.8 102.08 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.621 2.214 . . . . 0.0 112.344 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' PRO . 58.4 p 37.79 41.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.6 p -157.05 110.45 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.496 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -132.04 -46.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p 44.12 42.83 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.31 99.14 2.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -85.92 120.74 27.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -64.32 138.05 58.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.44 -172.9 18.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -144.03 125.63 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 20' ' ' PHE . 46.0 mttt -96.02 117.0 66.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 11' ' ' TYR . 53.4 Cg_endo -69.76 4.34 2.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 67.7 m-85 -132.54 110.24 10.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 p -129.53 151.68 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 18' ' ' LYS . 10.0 t -83.08 154.71 24.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -111.76 -44.4 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 6.6 mm-40 -45.27 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.8 p -100.48 -15.09 18.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.07 128.45 3.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 15.5 tttp -175.27 175.1 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.35 155.96 45.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 11' ' ' TYR . 98.2 m-85 -157.51 138.98 13.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -76.31 -34.17 59.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -117.37 146.46 43.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 10.8 tttp -54.62 -58.45 7.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.617 ' O ' HG23 ' A' ' 28' ' ' VAL . 57.1 p -42.97 -52.56 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -50.46 -35.24 28.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.9 tp -76.47 -51.5 11.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.541 HD13 ' N ' ' A' ' 27' ' ' ILE . 2.9 mm -49.12 -41.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 24' ' ' SER . 39.2 t -62.95 -43.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 32' ' ' VAL . 7.5 t60 -71.42 -25.5 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.9 -31.87 69.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.43 -35.73 61.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 29' ' ' HIS . 5.4 m -49.71 -26.4 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.106 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 29.1 m-70 -98.09 -49.4 4.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' HIS . 68.4 p -37.09 -33.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' HIS . . . -106.74 -172.8 22.83 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -51.29 140.59 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.922 0.391 . . . . 0.0 111.101 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -132.27 144.02 51.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.515 0.674 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 145.99 58.71 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.278 . . . . 0.0 112.312 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.3 p -65.15 115.48 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.27 146.1 16.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 88.23 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -70.55 -46.64 63.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -170.33 157.86 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.477 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_