data_2en4_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 2en4 _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 ' 11' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 14.7 mttp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 121.516 0.674 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -31.66 20.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -76.02 118.76 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -116.47 127.93 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.29 110.68 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.81 -8.34 53.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.3 mt-10 -78.07 -50.44 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.13 -39.37 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.86 13.77 4.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -70.34 -179.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.69 160.53 38.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 34.8 m-85 -162.01 140.05 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.88 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.0 p -121.17 -174.73 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.48 -55.08 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.0 t -44.25 -46.64 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.83 -27.15 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.5 tp -79.9 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.405 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 m -47.2 -50.84 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -44.96 -26.16 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.3 t60 -94.84 -33.07 12.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -60.28 -15.77 28.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -53.83 -32.39 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.529 HD11 ' CE1' ' A' ' 31' ' ' HIS . 14.3 pt -60.49 -27.46 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -93.13 -12.4 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 48.8 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.591 0.71 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.3 Cg_endo -69.77 -29.97 22.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -76.65 115.75 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -111.59 132.41 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.98 103.41 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.32 -10.72 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.49 -51.77 13.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.31 -42.1 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 15.13 2.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -71.37 -179.79 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.57 159.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 35.0 m-85 -161.73 144.81 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -65.1 -52.62 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -111.97 -177.25 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.4 tpt180 -75.34 -60.24 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -41.24 -42.87 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -65.37 -34.29 77.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -78.44 -60.17 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -50.75 -47.65 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -48.34 -28.29 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.2 t60 -91.85 -32.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.38 -16.94 26.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.41 -34.81 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' HIS . 13.2 pt -57.49 -28.76 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.1 m-70 -90.54 -14.09 33.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.4 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.53 26.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.69 112.0 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -109.1 135.75 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.54 107.47 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.77 -10.6 54.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.3 mt-10 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.58 -43.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.48 16.7 2.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.67 -178.86 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.44 157.87 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.4 m-85 -161.83 154.44 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -72.67 -59.96 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 p -109.06 170.49 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' LEU . 20.6 tpt180 -60.37 -59.54 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -40.76 -46.52 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.97 -32.9 74.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.02 -59.95 2.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.0 m -50.88 -51.52 50.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -42.4 -30.95 0.37 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 34' ' ' ILE . 4.8 t60 -90.69 -33.4 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.01 -21.2 43.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.67 -39.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 31' ' ' HIS . 11.7 pt -51.39 -32.39 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.7 m-70 -88.44 -19.15 26.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 38.7 mttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.68 -31.22 21.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -74.92 115.15 14.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -110.81 129.01 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.3 t -68.51 107.65 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -67.92 -10.22 51.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -75.96 -50.99 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.28 -37.11 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 12.91 6.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -67.4 -176.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.315 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.55 158.43 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 31.5 m-85 -161.88 144.51 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -63.76 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 p -102.54 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.74 -58.84 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.97 -35.69 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.43 -32.94 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -75.98 -53.53 8.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.6 m -57.43 -47.8 80.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -46.19 -27.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.4 t60 -93.0 -35.5 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -57.21 -16.28 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.77 -34.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.1 pt -57.56 -29.22 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.0 m-70 -90.21 -14.62 33.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 22.2 mttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.514 0.673 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.72 -32.38 18.88 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.741 2.294 . . . . 0.0 112.34 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -73.51 110.76 8.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -109.49 136.04 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.82 99.94 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.57 -11.19 10.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.41 -51.19 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.0 p -117.27 -42.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 14.61 2.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 7.4 mmmt -70.75 178.44 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.91 157.35 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.1 m-85 -161.97 152.49 17.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.81 -55.2 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -109.32 170.71 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.6 tpt180 -63.27 -60.56 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -41.12 -46.97 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -61.72 -33.54 74.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.62 -61.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.5 m -48.76 -47.94 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m -46.27 -32.89 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 4.8 t60 -88.28 -32.83 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.42 -20.38 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -47.9 -39.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 31' ' ' HIS . 11.3 pt -52.54 -32.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.5 m-70 -88.19 -19.86 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.7 mttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -31.18 20.92 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -73.97 114.15 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -111.07 130.74 55.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -70.1 108.46 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -67.66 -11.24 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.81 -50.56 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.28 -37.21 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.32 13.12 5.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.9 mmmt -65.62 -176.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.344 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -141.05 157.17 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.04 144.82 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -62.47 -55.64 25.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.9 p -109.55 -176.25 2.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.76 -55.26 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 t -45.64 -38.01 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -31.04 67.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -76.09 -57.04 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -52.55 -48.78 65.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -45.15 -27.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.8 t60 -94.18 -36.71 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.14 -16.71 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.46 -36.15 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 31' ' ' HIS . 11.8 pt -56.37 -29.74 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -90.01 -15.61 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 30.6 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.43 26.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -78.24 114.46 17.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -109.6 133.17 53.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' GLY . 43.2 t -74.03 107.34 6.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -67.54 -11.17 57.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -74.7 -49.17 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -119.3 -39.32 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.15 13.91 4.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -69.51 -178.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -138.43 158.99 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 36.2 m-85 -161.8 144.92 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -64.52 -56.17 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.5 p -105.78 -179.26 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' NH1' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.48 -55.78 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -45.51 -41.27 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.05 -31.54 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 tp -75.21 -52.0 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.2 m -58.42 -50.55 73.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -43.1 -27.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.3 t60 -93.5 -35.85 12.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.13 -16.05 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.79 -33.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 31' ' ' HIS . 11.8 pt -60.56 -25.24 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.7 m-70 -93.84 -13.91 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mttm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.622 0.725 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.74 -31.72 20.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -74.22 117.94 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -114.19 134.2 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.7 t -72.64 100.93 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.84 -11.18 11.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.37 -52.74 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.47 -41.84 3.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.86 13.13 3.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.5 mmmt -68.84 177.89 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.03 159.14 42.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.6 m-85 -161.93 148.01 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.51 -46.73 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -123.9 -174.71 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.8 tpt180 -74.23 -59.64 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -40.19 -46.07 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -65.61 -32.47 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 tp -78.19 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -49.65 -49.0 48.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.61 -26.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.7 t60 -95.0 -32.94 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -59.96 -16.2 28.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.2 t -53.03 -29.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 31' ' ' HIS . 14.3 pt -64.76 -23.4 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.5 m-70 -95.1 -6.05 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.9 mttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.55 0.69 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.632 2.222 . . . . 0.0 112.376 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -75.0 113.62 12.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -109.1 133.28 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 39.1 t -73.71 103.33 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.22 -11.12 28.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -73.73 -50.19 21.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -118.33 -40.6 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.39 15.66 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -71.96 -178.18 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.37 158.18 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.87 147.03 13.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -65.62 -56.26 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.0 p -110.28 -178.24 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.7 tpt180 -72.46 -59.54 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -41.03 -45.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -63.73 -32.98 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.27 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.0 m -50.07 -47.65 53.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -47.4 -29.85 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.1 t60 -90.98 -32.23 16.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.09 -18.11 44.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.2 t -51.8 -35.1 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.3 pt -57.34 -30.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.0 m-70 -89.68 -16.94 29.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 40.5 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.83 -29.93 22.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -75.72 114.88 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -111.34 129.13 56.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.0 t -69.15 105.09 2.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -66.0 -11.01 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.8 mt-10 -74.17 -51.31 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -117.4 -38.81 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 12.64 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -67.93 178.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.98 158.07 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 26.7 m-85 -162.02 148.41 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -67.54 -60.12 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -104.63 -176.54 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.5 tpt180 -74.26 -58.46 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.72 -42.45 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.21 -31.19 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -81.82 -61.39 1.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -50.44 -44.85 55.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -49.49 -28.88 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.7 t60 -92.51 -34.4 14.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -58.68 -15.56 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.37 -31.38 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 31' ' ' HIS . 14.4 pt -61.76 -26.99 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.454 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -92.1 -10.39 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.5 mttp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.81 -28.03 25.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -77.38 115.13 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -111.92 134.6 53.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -73.9 113.91 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -73.1 -8.9 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.9 mt-10 -77.94 -48.25 16.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.63 -41.63 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.87 16.59 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -71.53 -175.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.96 158.43 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 28.8 m-85 -161.85 149.41 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.61 -56.22 8.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 p -108.52 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -53.46 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -48.02 -38.26 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.37 -30.58 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -78.76 -57.19 3.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -52.03 -48.5 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -46.05 -29.38 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.1 t60 -91.06 -33.95 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.04 -13.18 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -57.51 -32.8 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 31' ' ' HIS . 13.2 pt -59.28 -28.23 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.2 m-70 -91.12 -14.12 31.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.0 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.76 -28.66 25.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -74.32 103.29 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -102.27 137.35 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.95 117.87 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -80.46 13.97 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.5 mt-10 -105.29 -45.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.16 -38.19 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.34 16.05 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 25.2 mmtm -72.28 -178.66 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.52 157.36 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 15.7 m-85 -161.92 159.36 26.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -81.28 -60.05 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -105.24 154.79 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.3 tpt180 -48.97 -59.8 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -41.24 -45.03 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -64.28 -33.32 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.85 -60.39 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -51.14 -49.87 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 m -44.49 -31.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.0 t60 -89.1 -33.98 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.76 -17.22 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -53.07 -31.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 31' ' ' HIS . 13.2 pt -61.37 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 -92.59 -9.45 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.2 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.47 107.19 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.22 105.41 4.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -65.95 -10.41 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mt-10 -76.3 -51.34 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -114.62 -43.39 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.98 16.58 2.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -73.38 -177.3 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.27 158.01 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 29.5 m-85 -159.76 158.06 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -77.67 -55.77 5.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 p -109.81 171.58 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -58.53 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -43.83 -42.95 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.6 -30.27 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.83 -54.49 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -57.51 -50.29 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -42.49 -28.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.2 t60 -93.42 -34.95 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -57.18 -21.34 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -47.6 -39.95 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 31' ' ' HIS . 11.4 pt -51.93 -31.79 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -88.05 -19.68 26.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.4 mttm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.533 0.682 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.86 -31.57 19.84 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -71.41 113.07 8.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -108.94 134.84 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -74.94 106.43 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -66.55 -10.65 47.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.3 mt-10 -74.45 -50.02 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.44 -41.44 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.56 13.78 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -68.76 -179.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.33 158.45 44.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.0 m-85 -162.03 149.33 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.09 -57.23 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -103.87 -179.23 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -74.28 -58.1 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -46.34 -37.58 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -66.81 -30.73 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -81.46 -61.53 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.8 m -49.29 -48.18 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -46.27 -27.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' HD13 ' A' ' 34' ' ' ILE . 4.9 t60 -93.95 -32.52 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.96 -18.1 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -51.13 -37.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.574 HD13 ' CE1' ' A' ' 31' ' ' HIS . 12.3 pt -55.21 -29.57 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.4 m-70 -90.67 -16.7 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 27.4 mttp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.556 0.693 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.79 -31.77 19.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.727 2.284 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.22 113.35 11.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -111.27 129.33 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -69.03 109.16 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -68.86 -11.12 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.5 mt-10 -74.44 -49.3 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -119.51 -38.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.28 14.23 5.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.7 mmmt -66.91 -177.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.4 157.52 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.13 142.22 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -60.93 -50.72 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.2 p -113.46 -174.87 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -52.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 t -46.07 -41.47 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -69.59 -30.52 68.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -75.47 -56.57 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 m -53.38 -47.96 69.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 m -46.3 -29.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.6 t60 -92.16 -35.15 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.54 -17.75 15.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.3 t -52.63 -37.29 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 31' ' ' HIS . 12.4 pt -54.48 -30.36 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.5 m-70 -89.34 -14.74 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.1 mttt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.564 0.697 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.69 -31.19 21.31 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -76.59 110.51 11.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -110.32 135.38 51.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.07 107.45 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -67.67 -10.95 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.5 mt-10 -74.51 -51.9 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -116.03 -41.91 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 14.1 3.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 1.6 mmmm -68.87 177.6 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.08 156.92 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 20.5 m-85 -162.01 151.19 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.14 -54.77 8.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.4 p -110.24 175.67 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' LEU . 11.2 tpt180 -68.09 -60.14 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -40.99 -45.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -64.31 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 tp -79.55 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.7 m -49.9 -48.32 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.03 -31.62 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.2 t60 -89.43 -33.02 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.71 -17.04 45.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -54.8 -30.32 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.565 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.1 pt -62.1 -25.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.3 m-70 -92.8 -15.48 26.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.651 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.6 mmtm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.571 0.701 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.77 -27.1 26.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.305 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -79.24 118.12 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -114.04 131.52 56.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.91 110.98 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -70.15 -10.56 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mt-10 -75.06 -51.46 13.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.21 -39.01 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.02 14.3 5.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.12 -178.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.52 159.38 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.038 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.9 m-85 -161.91 144.25 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.523 ' NE ' ' HZ3' ' A' ' 11' ' ' LYS . 16.8 mtt180 -64.12 -52.77 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 p -113.12 -175.08 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.8 tpt180 -77.09 -57.64 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -42.66 -46.54 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.85 -30.19 71.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 5.2 tp -79.61 -61.7 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 m -49.73 -46.89 50.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.68 -27.76 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.2 t60 -93.45 -34.76 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.74 -17.29 14.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.21 -32.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.568 HD13 ' CE1' ' A' ' 31' ' ' HIS . 12.8 pt -59.71 -26.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 85.9 m-70 -93.65 -15.42 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.9 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.569 0.699 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.74 -30.13 22.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -75.03 116.85 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -113.19 131.31 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' GLY . 41.3 t -71.55 104.9 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.53 -11.05 40.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.94 -49.76 23.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -119.79 -41.12 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.28 13.24 3.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -68.12 177.83 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.926 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.13 159.14 42.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 28' ' ' LEU . 33.0 m-85 -161.97 147.05 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -67.6 -47.13 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -116.9 176.42 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -41.8 -44.57 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.83 -32.97 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 22' ' ' PHE . 3.1 tp -75.69 -56.33 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 54.1 m -52.61 -49.62 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -44.63 -30.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.0 t60 -90.55 -31.78 16.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -60.79 -15.61 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.8 t -53.93 -32.43 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 31' ' ' HIS . 13.9 pt -60.74 -27.71 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.5 m-70 -92.27 -13.32 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.3 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.558 0.695 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.81 -30.94 21.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -73.09 110.91 7.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -106.93 132.44 52.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.0 t -73.12 102.16 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.04 -11.99 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -72.96 -49.73 27.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.7 p -119.27 -39.83 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.86 14.48 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 mmmt -69.85 -178.44 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.67 157.19 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.6 m-85 -161.94 146.67 12.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -66.64 -52.97 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -111.77 -177.28 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.1 tpt180 -75.28 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.51 -46.0 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -64.81 -32.81 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -77.93 -60.19 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.8 m -50.99 -49.99 59.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -44.35 -31.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.3 t60 -89.67 -32.55 16.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.29 -19.96 50.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.16 -38.3 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 31' ' ' HIS . 12.2 pt -53.39 -31.19 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -89.39 -16.87 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.638 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.4 mmtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.597 0.713 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -25.7 28.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -82.69 110.66 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -108.04 130.37 55.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.8 t -70.11 108.1 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.13 -9.97 50.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -76.1 -51.62 11.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.92 -31.28 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.17 10.03 12.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HZ2' ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -63.55 179.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.86 158.53 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 30.8 m-85 -161.94 140.15 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -59.92 -52.08 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -110.75 -174.69 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' NE ' ' OG1' ' A' ' 29' ' ' THR . 0.0 OUTLIER -82.48 -55.21 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -46.95 -37.98 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.03 -27.71 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.0 tp -81.11 -60.68 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.437 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.8 m -48.61 -47.03 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.52 -28.27 2.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.4 t60 -92.84 -34.78 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.33 -17.8 22.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.94 -33.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' CE1' ' A' ' 31' ' ' HIS . 13.4 pt -58.34 -27.43 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -92.58 -14.21 28.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -57.31 170.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.821 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -134.97 105.82 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.03 106.19 0.42 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 p -163.19 122.84 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -150.43 177.37 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.3 -52.66 1.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -166.7 170.11 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.133 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 25.05 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.9 pt-20 -136.8 133.21 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 14.7 mttp 38.8 49.45 2.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.516 0.674 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -31.66 20.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -76.02 118.76 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -116.47 127.93 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.29 110.68 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.81 -8.34 53.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.3 mt-10 -78.07 -50.44 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.13 -39.37 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.86 13.77 4.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -70.34 -179.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.69 160.53 38.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 34.8 m-85 -162.01 140.05 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.88 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.0 p -121.17 -174.73 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.48 -55.08 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.0 t -44.25 -46.64 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.83 -27.15 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.5 tp -79.9 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.405 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 m -47.2 -50.84 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -44.96 -26.16 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.3 t60 -94.84 -33.07 12.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -60.28 -15.77 28.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -53.83 -32.39 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.529 HD11 ' CE1' ' A' ' 31' ' ' HIS . 14.3 pt -60.49 -27.46 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -93.13 -12.4 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.9 p -89.55 117.51 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.11 172.1 47.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 39' ' ' LYS . 2.4 tp10 -122.06 159.86 26.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.959 0.409 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' GLU . 6.2 ttmm -34.53 -47.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -80.57 83.98 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.0 p -56.57 139.37 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.69 -160.66 36.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -14.83 36.61 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.345 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -94.09 165.24 12.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -60.69 -46.39 90.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.484 179.988 . . . . . . . . 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 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -75.13 81.57 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.824 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -118.49 -51.88 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.67 -107.27 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -115.97 103.8 10.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -94.15 79.37 4.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.16 83.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m -103.86 99.64 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -103.6 -28.05 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.462 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 3.6 pt-20 -89.39 138.16 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 48.8 mttt 34.54 51.33 1.09 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.3 Cg_endo -69.77 -29.97 22.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -76.65 115.75 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -111.59 132.41 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.98 103.41 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.32 -10.72 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.49 -51.77 13.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.31 -42.1 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 15.13 2.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -71.37 -179.79 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.57 159.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 35.0 m-85 -161.73 144.81 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -65.1 -52.62 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -111.97 -177.25 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.4 tpt180 -75.34 -60.24 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -41.24 -42.87 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -65.37 -34.29 77.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -78.44 -60.17 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -50.75 -47.65 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -48.34 -28.29 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.2 t60 -91.85 -32.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.38 -16.94 26.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.41 -34.81 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' HIS . 13.2 pt -57.49 -28.76 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.1 m-70 -90.54 -14.09 33.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 p -91.3 79.04 5.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.33 105.94 0.45 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.43 73.71 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -38.86 145.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -80.19 44.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 t -113.15 80.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . -81.09 -141.44 3.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.444 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.1 Cg_endo -69.78 -15.79 37.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.369 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 m -147.44 143.93 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.3 t -97.94 -49.54 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.458 179.977 . . . . . . . . 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 1.451 -0.339 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -106.09 168.39 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t -62.49 110.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.18 -111.06 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -60.27 174.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -103.2 -59.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 142.38 -37.2 1.58 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 7' ' ' GLY . 12.9 t -34.15 145.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -111.37 -60.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -62.74 -174.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.4 mttt 69.9 54.99 0.49 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.53 26.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.69 112.0 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -109.1 135.75 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.54 107.47 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.77 -10.6 54.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.3 mt-10 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.58 -43.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.48 16.7 2.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.67 -178.86 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.44 157.87 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.4 m-85 -161.83 154.44 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -72.67 -59.96 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 p -109.06 170.49 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' LEU . 20.6 tpt180 -60.37 -59.54 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -40.76 -46.52 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.97 -32.9 74.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.02 -59.95 2.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.0 m -50.88 -51.52 50.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -42.4 -30.95 0.37 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 34' ' ' ILE . 4.8 t60 -90.69 -33.4 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.01 -21.2 43.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.67 -39.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 31' ' ' HIS . 11.7 pt -51.39 -32.39 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.7 m-70 -88.44 -19.15 26.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.3 p -83.98 135.3 34.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 173.44 96.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' GLY . 22.5 mm-40 -35.24 104.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -72.66 149.62 43.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.456 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 1.7 mpp_? -87.18 86.71 7.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.4 m -126.02 154.18 43.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.49 167.21 40.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.93 3.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.9 p -45.74 115.01 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 99.2 p -108.47 43.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.52 -179.968 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -141.65 121.34 13.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 m -120.13 43.15 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.14 156.48 0.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 29.9 p -155.8 116.38 3.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 110.808 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 38.9 t -36.72 135.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.06 122.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.5 p -100.6 162.64 12.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 0.0 111.157 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.78 162.04 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.7 pt-20 -85.23 139.63 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 38.7 mttt 32.94 51.92 0.82 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.68 -31.22 21.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -74.92 115.15 14.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -110.81 129.01 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.3 t -68.51 107.65 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -67.92 -10.22 51.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -75.96 -50.99 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.28 -37.11 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 12.91 6.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -67.4 -176.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.315 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.55 158.43 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 31.5 m-85 -161.88 144.51 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -63.76 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 p -102.54 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.74 -58.84 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.97 -35.69 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.43 -32.94 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -75.98 -53.53 8.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.6 m -57.43 -47.8 80.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -46.19 -27.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.4 t60 -93.0 -35.5 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -57.21 -16.28 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.77 -34.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.1 pt -57.56 -29.22 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.0 m-70 -90.21 -14.62 33.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -93.01 37.75 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.68 -141.51 7.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 61.51 40.88 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt 37.51 40.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -116.64 78.87 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.6 p -142.26 133.67 26.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.26 -171.12 29.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -178.74 2.48 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.364 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -63.91 -48.29 77.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 t -84.75 93.58 8.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.502 -179.999 . . . . . . . . 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 1.451 -0.311 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -147.1 146.3 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -100.24 133.25 44.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.46 107.27 1.34 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -124.31 42.45 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 p -83.42 121.98 27.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.09 -163.91 28.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -95.88 144.13 26.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.135 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -73.05 -58.48 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -87.18 179.42 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 22.2 mttp 73.7 54.45 0.28 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.514 0.673 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.72 -32.38 18.88 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.741 2.294 . . . . 0.0 112.34 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -73.51 110.76 8.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -109.49 136.04 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.82 99.94 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.57 -11.19 10.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.41 -51.19 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.0 p -117.27 -42.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 14.61 2.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 7.4 mmmt -70.75 178.44 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.91 157.35 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.1 m-85 -161.97 152.49 17.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.81 -55.2 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -109.32 170.71 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.6 tpt180 -63.27 -60.56 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -41.12 -46.97 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -61.72 -33.54 74.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.62 -61.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.5 m -48.76 -47.94 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m -46.27 -32.89 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 4.8 t60 -88.28 -32.83 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.42 -20.38 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -47.9 -39.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 31' ' ' HIS . 11.3 pt -52.54 -32.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.5 m-70 -88.19 -19.86 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.2 p -83.26 119.97 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.96 96.65 0.26 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -112.88 -61.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.922 0.392 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.02 140.84 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' SER . 6.8 tpp85 70.67 39.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' ARG . 35.8 t -35.29 119.52 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.05 93.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -30.53 22.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.2 p -85.87 149.97 24.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 t -113.62 108.88 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.515 179.975 . . . . . . . . 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 -0.358 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -133.05 155.41 49.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -120.55 104.16 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.66 172.51 30.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.5 m -142.76 179.01 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 61.9 m -34.49 141.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.24 -43.43 0.17 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.8 p -61.8 97.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 111.149 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 176.41 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 5.9 pt-20 -92.47 138.23 31.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.7 mttp 33.93 51.46 0.98 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -31.18 20.92 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -73.97 114.15 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -111.07 130.74 55.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -70.1 108.46 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -67.66 -11.24 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.81 -50.56 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.28 -37.21 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.32 13.12 5.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.9 mmmt -65.62 -176.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.344 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -141.05 157.17 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.04 144.82 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -62.47 -55.64 25.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.9 p -109.55 -176.25 2.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.76 -55.26 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 t -45.64 -38.01 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -31.04 67.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -76.09 -57.04 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -52.55 -48.78 65.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -45.15 -27.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.8 t60 -94.18 -36.71 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.14 -16.71 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.46 -36.15 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 31' ' ' HIS . 11.8 pt -56.37 -29.74 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -90.01 -15.61 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.4 p -90.0 142.69 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.78 108.48 2.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.536 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -96.38 41.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -162.38 136.36 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -80.79 43.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.7 m -131.97 86.42 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.79 131.43 5.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -48.9 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -104.83 -52.74 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m 59.76 41.5 18.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.474 -179.95 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -145.68 164.79 30.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 110.909 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -103.31 70.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.95 -74.54 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 m -95.34 162.55 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 m -102.37 152.31 21.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -135.18 -169.9 12.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 71.1 p -36.5 132.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.17 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -83.2 106.89 15.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 5.5 pt-20 -156.47 137.69 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 30.6 mttt 33.61 51.49 0.91 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.43 26.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -78.24 114.46 17.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -109.6 133.17 53.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' GLY . 43.2 t -74.03 107.34 6.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -67.54 -11.17 57.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -74.7 -49.17 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -119.3 -39.32 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.15 13.91 4.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -69.51 -178.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -138.43 158.99 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 36.2 m-85 -161.8 144.92 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -64.52 -56.17 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.5 p -105.78 -179.26 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' NH1' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.48 -55.78 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -45.51 -41.27 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.05 -31.54 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 tp -75.21 -52.0 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.2 m -58.42 -50.55 73.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -43.1 -27.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.3 t60 -93.5 -35.85 12.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.13 -16.05 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.79 -33.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 31' ' ' HIS . 11.8 pt -60.56 -25.24 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.7 m-70 -93.84 -13.91 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.6 p -90.99 128.79 36.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.44 108.77 0.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -101.81 149.42 24.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.396 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -100.31 155.3 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 152.7 40.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.5 m -141.84 158.9 43.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.13 -166.56 2.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 84.19 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.724 2.282 . . . . 0.0 112.362 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' SER . 42.8 p -80.41 171.65 14.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' SER . 39.1 t -37.1 124.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.537 -179.937 . . . . . . . . 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 -0.322 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 97.3 p 43.2 42.28 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.814 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 6.8 t -36.38 151.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.24 115.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -53.23 -49.31 67.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -84.92 174.8 9.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.07 36.15 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 p -124.29 98.26 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -72.16 129.47 38.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 2.1 pt-20 -130.78 139.52 50.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mttm 33.65 51.69 0.95 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.74 -31.72 20.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -74.22 117.94 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -114.19 134.2 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.7 t -72.64 100.93 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.84 -11.18 11.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.37 -52.74 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.47 -41.84 3.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.86 13.13 3.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.5 mmmt -68.84 177.89 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.03 159.14 42.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.6 m-85 -161.93 148.01 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.51 -46.73 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -123.9 -174.71 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.8 tpt180 -74.23 -59.64 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -40.19 -46.07 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -65.61 -32.47 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 tp -78.19 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -49.65 -49.0 48.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.61 -26.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.7 t60 -95.0 -32.94 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -59.96 -16.2 28.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.2 t -53.03 -29.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 31' ' ' HIS . 14.3 pt -64.76 -23.4 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.5 m-70 -95.1 -6.05 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 p -93.36 52.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.11 144.04 15.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -127.62 -55.5 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -49.29 -50.18 40.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -81.46 48.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -96.4 -54.76 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.15 89.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.83 11.92 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' SER . 2.8 t -142.08 119.88 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' SER . 2.5 m -36.47 -51.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.206 -0.774 . . . . 0.0 112.44 179.992 . . . . . . . . 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 -0.32 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -118.28 42.27 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t 39.8 42.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.59 90.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -119.6 108.23 14.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -146.72 168.95 20.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.33 -50.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -54.24 152.44 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -104.95 79.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 2.0 pt-20 -106.06 139.32 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.9 mttp 34.01 51.37 0.98 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.55 0.69 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.632 2.222 . . . . 0.0 112.376 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -75.0 113.62 12.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -109.1 133.28 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 39.1 t -73.71 103.33 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.22 -11.12 28.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -73.73 -50.19 21.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -118.33 -40.6 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.39 15.66 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -71.96 -178.18 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.37 158.18 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.87 147.03 13.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -65.62 -56.26 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.0 p -110.28 -178.24 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.7 tpt180 -72.46 -59.54 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -41.03 -45.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -63.73 -32.98 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.27 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.0 m -50.07 -47.65 53.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -47.4 -29.85 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.1 t60 -90.98 -32.23 16.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -60.09 -18.11 44.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.2 t -51.8 -35.1 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.3 pt -57.34 -30.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.0 m-70 -89.68 -16.94 29.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 p -88.27 148.97 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.55 126.05 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -142.86 113.43 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.03 83.51 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.25 109.06 16.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 p -149.86 145.38 26.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.97 -106.21 2.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.23 11.28 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.8 p -50.88 141.7 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -170.85 129.17 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.487 -179.984 . . . . . . . . 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 1.452 -0.263 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 65.47 42.36 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -110.4 -53.66 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.37 -177.47 50.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -169.62 115.19 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -163.92 124.4 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.59 70.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.7 p -131.35 121.54 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 111.166 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? 69.22 39.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.0 pt-20 -157.52 138.02 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 40.5 mttt 34.34 51.24 1.03 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.83 -29.93 22.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -75.72 114.88 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -111.34 129.13 56.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.0 t -69.15 105.09 2.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -66.0 -11.01 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.8 mt-10 -74.17 -51.31 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -117.4 -38.81 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 12.64 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -67.93 178.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.98 158.07 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 26.7 m-85 -162.02 148.41 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -67.54 -60.12 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -104.63 -176.54 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.5 tpt180 -74.26 -58.46 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.72 -42.45 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.21 -31.19 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -81.82 -61.39 1.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -50.44 -44.85 55.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -49.49 -28.88 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.7 t60 -92.51 -34.4 14.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -58.68 -15.56 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.37 -31.38 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 31' ' ' HIS . 14.4 pt -61.76 -26.99 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.454 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -92.1 -10.39 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 p -93.11 39.05 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.84 -119.22 4.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.67 -61.88 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -76.36 81.63 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -90.86 -52.06 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.0 p -79.99 89.97 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.88 -114.85 2.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 107.63 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.2 p -49.04 112.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.0 m -138.91 146.75 41.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.489 -179.99 . . . . . . . . 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 1.451 -0.339 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -102.38 96.48 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.358 . . . . 0.0 110.904 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 t -89.23 156.19 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.91 52.06 54.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -148.84 135.2 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -69.82 95.58 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.79 -122.47 2.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -87.15 91.69 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 111.103 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -79.68 5.51 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.54 -176.07 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.5 mttp 71.03 55.04 0.41 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.81 -28.03 25.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -77.38 115.13 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -111.92 134.6 53.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -73.9 113.91 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -73.1 -8.9 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.9 mt-10 -77.94 -48.25 16.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.63 -41.63 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.87 16.59 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -71.53 -175.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.96 158.43 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 28.8 m-85 -161.85 149.41 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.61 -56.22 8.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 p -108.52 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -53.46 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -48.02 -38.26 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.37 -30.58 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -78.76 -57.19 3.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -52.03 -48.5 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -46.05 -29.38 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.1 t60 -91.06 -33.95 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.04 -13.18 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -57.51 -32.8 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 31' ' ' HIS . 13.2 pt -59.28 -28.23 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.2 m-70 -91.12 -14.12 31.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 p -97.15 149.99 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.75 -100.65 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -146.99 168.85 20.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.8 40.15 30.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -116.31 43.21 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m 41.01 42.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.22 123.01 1.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -0.88 7.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 t -54.14 138.23 38.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 m -68.7 112.53 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 119.186 -0.786 . . . . 0.0 112.445 -179.997 . . . . . . . . 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 -0.327 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -111.06 81.36 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -139.52 170.67 15.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.61 48.04 12.57 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -41.05 -48.13 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.813 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -48.47 133.56 16.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.1 -46.69 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -72.97 146.16 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 111.204 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -91.35 129.35 37.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.462 ' HG2' ' NE ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.08 -175.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.0 mttt 70.34 53.01 0.41 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.76 -28.66 25.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -74.32 103.29 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -102.27 137.35 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.95 117.87 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -80.46 13.97 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.5 mt-10 -105.29 -45.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.16 -38.19 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.34 16.05 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 25.2 mmtm -72.28 -178.66 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.52 157.36 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 15.7 m-85 -161.92 159.36 26.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' NE ' ' HG2' ' A' ' 10' ' ' GLU . 15.8 mtt180 -81.28 -60.05 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -105.24 154.79 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.3 tpt180 -48.97 -59.8 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -41.24 -45.03 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -64.28 -33.32 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.85 -60.39 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -51.14 -49.87 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 m -44.49 -31.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.0 t60 -89.1 -33.98 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.76 -17.22 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -53.07 -31.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 31' ' ' HIS . 13.2 pt -61.37 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 -92.59 -9.45 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p -90.37 40.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.48 171.95 28.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -133.96 121.99 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -46.13 129.09 9.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -98.48 133.43 42.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.5 p -78.55 120.11 22.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.27 -151.27 5.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 179.1 3.88 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -56.61 169.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -131.09 -53.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.507 179.995 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.68 159.14 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -162.79 172.93 14.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.35 -169.96 18.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -112.95 107.27 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -119.3 145.2 46.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.07 175.41 36.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.7 p -121.59 152.82 38.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -119.68 155.53 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -106.82 -176.64 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.2 mttt 69.53 54.95 0.51 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.47 107.19 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.22 105.41 4.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -65.95 -10.41 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mt-10 -76.3 -51.34 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -114.62 -43.39 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.98 16.58 2.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -73.38 -177.3 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.27 158.01 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 29.5 m-85 -159.76 158.06 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -77.67 -55.77 5.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 p -109.81 171.58 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -58.53 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -43.83 -42.95 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.6 -30.27 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.83 -54.49 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -57.51 -50.29 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -42.49 -28.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.2 t60 -93.42 -34.95 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -57.18 -21.34 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -47.6 -39.95 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 31' ' ' HIS . 11.4 pt -51.93 -31.79 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -88.05 -19.68 26.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -84.03 122.12 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.21 44.61 1.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -96.24 91.2 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.926 0.393 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -83.23 -56.67 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -138.25 139.26 39.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.6 p -113.12 92.75 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.93 -163.93 31.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.31 60.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 t -120.98 82.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 t -101.75 133.71 46.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.481 -179.961 . . . . . . . . 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 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.6 m -93.07 119.39 32.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.2 t -36.55 114.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.68 112.09 4.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.55 153.62 39.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -121.46 81.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.93 63.23 3.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -127.74 109.44 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -113.92 103.08 10.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 3.1 pt-20 -133.25 140.37 47.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.4 mttm 33.91 51.19 0.93 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.86 -31.57 19.84 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -71.41 113.07 8.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -108.94 134.84 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -74.94 106.43 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -66.55 -10.65 47.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.3 mt-10 -74.45 -50.02 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.44 -41.44 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.56 13.78 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -68.76 -179.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.33 158.45 44.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.0 m-85 -162.03 149.33 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.09 -57.23 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -103.87 -179.23 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -74.28 -58.1 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -46.34 -37.58 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -66.81 -30.73 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -81.46 -61.53 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.8 m -49.29 -48.18 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -46.27 -27.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.574 ' CE1' HD13 ' A' ' 34' ' ' ILE . 4.9 t60 -93.95 -32.52 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.96 -18.1 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -51.13 -37.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.574 HD13 ' CE1' ' A' ' 31' ' ' HIS . 12.3 pt -55.21 -29.57 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.4 m-70 -90.67 -16.7 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -94.85 128.97 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.62 39.78 2.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -130.06 -55.99 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -63.72 115.63 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -52.89 -47.18 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -56.62 -48.14 78.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.0 143.73 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 93.44 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 m -125.31 83.16 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -119.99 163.18 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.503 -179.992 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -80.74 103.59 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -67.78 94.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.59 -103.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.53 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -93.65 110.81 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -108.13 42.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.21 128.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 p -117.03 130.83 56.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -90.81 39.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 11' ' ' LYS . 4.2 pt-20 -140.72 139.67 34.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 27.4 mttp 33.59 51.66 0.93 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.556 0.693 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.79 -31.77 19.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.727 2.284 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.22 113.35 11.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -111.27 129.33 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -69.03 109.16 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -68.86 -11.12 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.5 mt-10 -74.44 -49.3 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -119.51 -38.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.28 14.23 5.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.7 mmmt -66.91 -177.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.4 157.52 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.13 142.22 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -60.93 -50.72 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.2 p -113.46 -174.87 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -52.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 t -46.07 -41.47 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -69.59 -30.52 68.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -75.47 -56.57 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 m -53.38 -47.96 69.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 m -46.3 -29.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 34' ' ' ILE . 5.6 t60 -92.16 -35.15 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.54 -17.75 15.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.3 t -52.63 -37.29 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 31' ' ' HIS . 12.4 pt -54.48 -30.36 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.5 m-70 -89.34 -14.74 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -90.48 165.41 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.86 -146.31 7.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -35.07 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.941 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.0 138.8 57.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 53.59 41.93 31.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.8 m -141.62 166.47 24.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.77 -130.43 2.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 85.28 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.71 2.273 . . . . 0.0 112.293 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.6 t -112.84 120.85 42.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -73.95 115.83 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m 58.54 42.21 21.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -51.11 -49.09 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.5 -53.09 0.5 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -119.78 42.39 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.909 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -118.81 125.0 48.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.47 -41.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.8 p -63.64 110.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.114 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -143.31 175.25 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.9 -174.79 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.1 mttt 69.16 54.84 0.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.69 -31.19 21.31 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -76.59 110.51 11.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -110.32 135.38 51.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.07 107.45 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -67.67 -10.95 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.5 mt-10 -74.51 -51.9 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -116.03 -41.91 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 14.1 3.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 1.6 mmmm -68.87 177.6 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.08 156.92 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 20.5 m-85 -162.01 151.19 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.14 -54.77 8.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.4 p -110.24 175.67 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' LEU . 11.2 tpt180 -68.09 -60.14 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -40.99 -45.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -64.31 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 tp -79.55 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.7 m -49.9 -48.32 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.03 -31.62 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.2 t60 -89.43 -33.02 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.71 -17.04 45.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -54.8 -30.32 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.565 HD13 ' CE1' ' A' ' 31' ' ' HIS . 13.1 pt -62.1 -25.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.3 m-70 -92.8 -15.48 26.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.5 p -88.07 130.67 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.74 -85.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -106.64 130.16 54.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -101.6 88.19 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -123.35 -52.05 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 m -60.71 -46.57 89.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.07 142.62 39.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 150.37 68.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 45' ' ' SER . 1.6 t -112.72 78.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' SER . 67.3 p 34.79 41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.506 179.984 . . . . . . . . 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 -0.299 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -127.28 131.78 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -60.17 -59.23 5.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 -144.7 15.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -57.75 143.84 40.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -78.68 -41.49 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.64 81.88 1.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -83.17 124.96 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -131.01 -31.71 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.8 pt-20 -95.18 120.23 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.651 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.6 mmtm 54.13 41.35 0.89 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.571 0.701 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.77 -27.1 26.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.305 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -79.24 118.12 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -114.04 131.52 56.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.91 110.98 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -70.15 -10.56 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mt-10 -75.06 -51.46 13.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.21 -39.01 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.02 14.3 5.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.12 -178.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.52 159.38 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.038 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.9 m-85 -161.91 144.25 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.523 ' NE ' ' HZ3' ' A' ' 11' ' ' LYS . 16.8 mtt180 -64.12 -52.77 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 p -113.12 -175.08 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.8 tpt180 -77.09 -57.64 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -42.66 -46.54 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.85 -30.19 71.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 5.2 tp -79.61 -61.7 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 m -49.73 -46.89 50.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.68 -27.76 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.2 t60 -93.45 -34.76 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.74 -17.29 14.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.21 -32.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.568 HD13 ' CE1' ' A' ' 31' ' ' HIS . 12.8 pt -59.71 -26.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 85.9 m-70 -93.65 -15.42 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p -90.59 80.76 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.69 137.47 10.56 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -126.62 127.72 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -135.98 151.8 50.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -34.67 108.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 p -143.18 122.88 13.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.92 146.0 13.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 89.49 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 m -118.7 171.29 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.8 m -111.5 -59.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.481 -179.988 . . . . . . . . 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 1.451 -0.301 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -67.63 -53.64 26.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t 41.27 42.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 72.09 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -139.1 164.13 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -57.74 169.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.66 -150.09 5.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' LYS . 68.5 p -131.01 115.37 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 111.166 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' THR . 51.9 tttt -38.28 118.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 11' ' ' LYS . 3.9 pt-20 -174.97 140.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.9 mttt 32.92 51.99 0.83 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.569 0.699 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.74 -30.13 22.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -75.03 116.85 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -113.19 131.31 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' GLY . 41.3 t -71.55 104.9 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.53 -11.05 40.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.94 -49.76 23.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -119.79 -41.12 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.28 13.24 3.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -68.12 177.83 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.926 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.13 159.14 42.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HD11 ' A' ' 28' ' ' LEU . 33.0 m-85 -161.97 147.05 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -67.6 -47.13 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -116.9 176.42 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -41.8 -44.57 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.83 -32.97 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 22' ' ' PHE . 3.1 tp -75.69 -56.33 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 54.1 m -52.61 -49.62 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -44.63 -30.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.0 t60 -90.55 -31.78 16.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -60.79 -15.61 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.8 t -53.93 -32.43 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 31' ' ' HIS . 13.9 pt -60.74 -27.71 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.5 m-70 -92.27 -13.32 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -92.01 146.42 23.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -56.47 -94.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.1 tt0 -37.61 136.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.392 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.21 121.62 35.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -63.65 -62.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -114.46 141.13 48.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.85 115.87 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.305 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -87.51 168.01 13.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -111.58 -44.53 3.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.522 -179.982 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -83.82 104.55 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -55.89 -54.6 42.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.53 115.39 3.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -108.56 130.54 55.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -79.35 129.13 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.3 -83.71 1.64 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -75.89 133.67 40.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -144.0 130.86 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.6 pt-20 -84.86 140.45 31.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.3 mttt 32.4 52.06 0.76 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.695 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.81 -30.94 21.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -73.09 110.91 7.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -106.93 132.44 52.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.0 t -73.12 102.16 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.04 -11.99 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -72.96 -49.73 27.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.7 p -119.27 -39.83 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.86 14.48 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 mmmt -69.85 -178.44 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.67 157.19 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.6 m-85 -161.94 146.67 12.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -66.64 -52.97 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -111.77 -177.28 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.1 tpt180 -75.28 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.51 -46.0 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -64.81 -32.81 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -77.93 -60.19 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.8 m -50.99 -49.99 59.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -44.35 -31.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.3 t60 -89.67 -32.55 16.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.29 -19.96 50.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.16 -38.3 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 31' ' ' HIS . 12.2 pt -53.39 -31.19 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -89.39 -16.87 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 p -89.41 38.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.41 -137.97 5.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.3 mt-10 43.68 49.33 6.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER 34.15 54.95 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -82.03 -58.0 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 t -107.29 151.09 25.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.7 170.88 25.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -13.7 35.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 t 40.88 42.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -78.0 148.11 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.499 -179.993 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -121.32 133.28 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -127.94 -55.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.82 175.19 14.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -141.29 149.98 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -104.35 131.47 51.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.73 127.6 4.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -95.79 46.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 0.0 111.15 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -40.71 -72.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 5.4 pt-20 -175.36 121.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.4 mmtm 52.87 41.92 1.09 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -25.7 28.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -82.69 110.66 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -108.04 130.37 55.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.8 t -70.11 108.1 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.13 -9.97 50.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -76.1 -51.62 11.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.92 -31.28 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.17 10.03 12.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HZ2' ' CE1' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -63.55 179.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.86 158.53 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 30.8 m-85 -161.94 140.15 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 10' ' ' GLU . 31.1 mtt-85 -59.92 -52.08 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -110.75 -174.69 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' NE ' ' OG1' ' A' ' 29' ' ' THR . 0.0 OUTLIER -82.48 -55.21 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -46.95 -37.98 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.03 -27.71 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.0 tp -81.11 -60.68 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.437 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.8 m -48.61 -47.03 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.52 -28.27 2.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.4 t60 -92.84 -34.78 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.33 -17.8 22.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.94 -33.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' CE1' ' A' ' 31' ' ' HIS . 13.4 pt -58.34 -27.43 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -92.58 -14.21 28.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 p -95.75 151.64 19.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.04 -86.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -83.37 80.83 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.374 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt -53.88 117.62 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -37.96 156.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.8 p -83.64 173.23 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.63 133.86 25.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.86 3.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t 74.87 43.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -133.62 121.4 21.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.507 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 14.7 mttp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 121.516 0.674 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -31.66 20.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -76.02 118.76 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -116.47 127.93 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.29 110.68 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.81 -8.34 53.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -78.07 -50.44 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.13 -39.37 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.86 13.77 4.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -70.34 -179.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.69 160.53 38.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 34.8 m-85 -162.01 140.05 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.88 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.0 p -121.17 -174.73 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.48 -55.08 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.0 t -44.25 -46.64 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.83 -27.15 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.5 tp -79.9 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.421 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 m -47.2 -50.84 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -44.96 -26.16 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.84 -33.07 12.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -60.28 -15.77 28.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -53.83 -32.39 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 pt -60.49 -27.46 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -93.13 -12.4 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 48.8 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.591 0.71 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.3 Cg_endo -69.77 -29.97 22.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.7 m-30 -76.65 115.75 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -111.59 132.41 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.98 103.41 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.32 -10.72 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.49 -51.77 13.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.31 -42.1 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 15.13 2.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -71.37 -179.79 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.57 159.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 35.0 m-85 -161.73 144.81 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -65.1 -52.62 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -111.97 -177.25 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.4 tpt180 -75.34 -60.24 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -41.24 -42.87 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -65.37 -34.29 77.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -78.44 -60.17 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -50.75 -47.65 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -48.34 -28.29 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -91.85 -32.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.38 -16.94 26.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.41 -34.81 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.49 -28.76 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -90.54 -14.09 33.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.4 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.53 26.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.69 112.0 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -109.1 135.75 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.54 107.47 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.77 -10.6 54.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 8.3 mt-10 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.58 -43.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.48 16.7 2.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.67 -178.86 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.44 157.87 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.4 m-85 -161.83 154.44 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -72.67 -59.96 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 p -109.06 170.49 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' LEU . 20.6 tpt180 -60.37 -59.54 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -40.76 -46.52 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.97 -32.9 74.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.02 -59.95 2.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.0 m -50.88 -51.52 50.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -42.4 -30.95 0.37 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -90.69 -33.4 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.41 HE21 ' CD ' ' A' ' 17' ' ' GLU . 3.3 mt-30 -58.01 -21.2 43.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.67 -39.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.7 pt -51.39 -32.39 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 33.2 m80 -88.44 -19.15 26.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 38.7 mttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.68 -31.22 21.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.7 m-30 -74.92 115.15 14.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -110.81 129.01 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.3 t -68.51 107.65 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -67.92 -10.22 51.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.96 -50.99 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.28 -37.11 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 12.91 6.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -67.4 -176.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.315 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.55 158.43 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 31.5 m-85 -161.88 144.51 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -63.76 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 p -102.54 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.548 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.74 -58.84 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.97 -35.69 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.43 -32.94 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -75.98 -53.53 8.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.6 m -57.43 -47.8 80.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -46.19 -27.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -93.0 -35.5 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -57.21 -16.28 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.77 -34.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -57.56 -29.22 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -90.21 -14.62 33.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 22.2 mttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.514 0.673 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.72 -32.38 18.88 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.741 2.294 . . . . 0.0 112.34 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -73.51 110.76 8.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -109.49 136.04 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.82 99.94 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.57 -11.19 10.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -73.41 -51.19 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 p -117.27 -42.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 14.61 2.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 7.4 mmmt -70.75 178.44 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.91 157.35 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.1 m-85 -161.97 152.49 17.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.81 -55.2 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -109.32 170.71 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.6 tpt180 -63.27 -60.56 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -41.12 -46.97 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -61.72 -33.54 74.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.62 -61.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.5 m -48.76 -47.94 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m -46.27 -32.89 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 4.8 t60 -88.28 -32.83 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.42 -20.38 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -47.9 -39.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 pt -52.54 -32.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -88.19 -19.86 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.7 mttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -31.18 20.92 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -73.97 114.15 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -111.07 130.74 55.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -70.1 108.46 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -67.66 -11.24 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.81 -50.56 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.28 -37.21 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.32 13.12 5.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.9 mmmt -65.62 -176.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.344 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -141.05 157.17 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.04 144.82 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -62.47 -55.64 25.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.9 p -109.55 -176.25 2.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.76 -55.26 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 t -45.64 -38.01 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -31.04 67.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.549 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -76.09 -57.04 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -52.55 -48.78 65.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -45.15 -27.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.8 t60 -94.18 -36.71 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.14 -16.71 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.46 -36.15 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 pt -56.37 -29.74 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -90.01 -15.61 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 30.6 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.43 26.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.463 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-30 -78.24 114.46 17.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -109.6 133.17 53.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' GLY . 43.2 t -74.03 107.34 6.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -67.54 -11.17 57.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -74.7 -49.17 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -119.3 -39.32 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.15 13.91 4.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -69.51 -178.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -138.43 158.99 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 36.2 m-85 -161.8 144.92 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -64.52 -56.17 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.5 p -105.78 -179.26 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.48 -55.78 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -45.51 -41.27 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.05 -31.54 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 tp -75.21 -52.0 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.2 m -58.42 -50.55 73.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -43.1 -27.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -93.5 -35.85 12.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 36' ' ' THR . 27.7 mt-30 -57.13 -16.05 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.79 -33.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 pt -60.56 -25.24 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -93.84 -13.91 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.6 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mttm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.622 0.725 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.74 -31.72 20.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -74.22 117.94 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 34.1 tttt -114.19 134.2 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.7 t -72.64 100.93 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.84 -11.18 11.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.37 -52.74 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.47 -41.84 3.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.86 13.13 3.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.5 mmmt -68.84 177.89 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.03 159.14 42.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.6 m-85 -161.93 148.01 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.51 -46.73 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -123.9 -174.71 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.8 tpt180 -74.23 -59.64 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -40.19 -46.07 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -65.61 -32.47 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 tp -78.19 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -49.65 -49.0 48.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.61 -26.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.7 t60 -95.0 -32.94 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -59.96 -16.2 28.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.2 t -53.03 -29.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 pt -64.76 -23.4 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 38.9 m80 -95.1 -6.05 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.9 mttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.55 0.69 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.632 2.222 . . . . 0.0 112.376 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.8 m-30 -75.0 113.62 12.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -109.1 133.28 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 39.1 t -73.71 103.33 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.22 -11.12 28.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.73 -50.19 21.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -118.33 -40.6 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.39 15.66 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -71.96 -178.18 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.37 158.18 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.87 147.03 13.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -65.62 -56.26 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.0 p -110.28 -178.24 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.7 tpt180 -72.46 -59.54 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -41.03 -45.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -63.73 -32.98 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.27 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.0 m -50.07 -47.65 53.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -47.4 -29.85 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.98 -32.23 16.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' O ' HG23 ' A' ' 36' ' ' THR . 28.7 mt-30 -60.09 -18.11 44.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.2 t -51.8 -35.1 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -57.34 -30.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -89.68 -16.94 29.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 40.5 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.83 -29.93 22.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.6 m-30 -75.72 114.88 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -111.34 129.13 56.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.0 t -69.15 105.09 2.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -66.0 -11.01 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.527 ' CD ' HE21 ' A' ' 32' ' ' GLN . 6.8 mt-10 -74.17 -51.31 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -117.4 -38.81 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 12.64 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -67.93 178.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.98 158.07 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 26.7 m-85 -162.02 148.41 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -67.54 -60.12 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -104.63 -176.54 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.514 HH11 HD23 ' A' ' 28' ' ' LEU . 25.5 tpt180 -74.26 -58.46 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.72 -42.45 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.21 -31.19 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -81.82 -61.39 1.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -50.44 -44.85 55.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -49.49 -28.88 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.7 t60 -92.51 -34.4 14.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.527 HE21 ' CD ' ' A' ' 17' ' ' GLU . 4.0 mt-30 -58.68 -15.56 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.37 -31.38 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 pt -61.76 -26.99 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 36.7 m80 -92.1 -10.39 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 32' ' ' GLN . 11.5 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.5 mttp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.81 -28.03 25.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -77.38 115.13 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -111.92 134.6 53.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -73.9 113.91 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -73.1 -8.9 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -77.94 -48.25 16.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.63 -41.63 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.87 16.59 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -71.53 -175.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.96 158.43 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 28.8 m-85 -161.85 149.41 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.61 -56.22 8.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 p -108.52 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -53.46 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -48.02 -38.26 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.37 -30.58 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -78.76 -57.19 3.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -52.03 -48.5 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -46.05 -29.38 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -91.06 -33.95 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' ' 36' ' ' THR . 29.9 mt-30 -59.04 -13.18 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -57.51 -32.8 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -59.28 -28.23 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -91.12 -14.12 31.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 32' ' ' GLN . 7.1 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.0 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.76 -28.66 25.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -74.32 103.29 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -102.27 137.35 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.95 117.87 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -80.46 13.97 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -105.29 -45.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.16 -38.19 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.34 16.05 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 25.2 mmtm -72.28 -178.66 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.52 157.36 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 15.7 m-85 -161.92 159.36 26.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -81.28 -60.05 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -105.24 154.79 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.3 tpt180 -48.97 -59.8 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -41.24 -45.03 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -64.28 -33.32 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.85 -60.39 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -51.14 -49.87 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 m -44.49 -31.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.0 t60 -89.1 -33.98 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.76 -17.22 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -53.07 -31.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.37 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -92.59 -9.45 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.2 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.9 m-85 -74.47 107.19 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.22 105.41 4.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -65.95 -10.41 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -76.3 -51.34 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -114.62 -43.39 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.98 16.58 2.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -73.38 -177.3 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.27 158.01 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 29.5 m-85 -159.76 158.06 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -77.67 -55.77 5.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 p -109.81 171.58 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -58.53 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -43.83 -42.95 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.6 -30.27 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.83 -54.49 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -57.51 -50.29 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -42.49 -28.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -93.42 -34.95 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -57.18 -21.34 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -47.6 -39.95 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.4 pt -51.93 -31.79 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -88.05 -19.68 26.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.4 mttm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.533 0.682 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.86 -31.57 19.84 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -71.41 113.07 8.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -108.94 134.84 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -74.94 106.43 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -66.55 -10.65 47.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -74.45 -50.02 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.44 -41.44 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.56 13.78 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -68.76 -179.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.33 158.45 44.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.0 m-85 -162.03 149.33 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.09 -57.23 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -103.87 -179.23 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -74.28 -58.1 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -46.34 -37.58 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -66.81 -30.73 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -81.46 -61.53 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.8 m -49.29 -48.18 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -46.27 -27.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 4.9 t60 -93.95 -32.52 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.96 -18.1 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -51.13 -37.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.3 pt -55.21 -29.57 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -90.67 -16.7 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 27.4 mttp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.556 0.693 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.79 -31.77 19.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.727 2.284 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.22 113.35 11.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -111.27 129.33 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -69.03 109.16 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -68.86 -11.12 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.44 -49.3 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -119.51 -38.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.28 14.23 5.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.7 mmmt -66.91 -177.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.4 157.52 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.13 142.22 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -60.93 -50.72 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.2 p -113.46 -174.87 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -52.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 t -46.07 -41.47 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -69.59 -30.52 68.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -75.47 -56.57 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 m -53.38 -47.96 69.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 m -46.3 -29.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.6 t60 -92.16 -35.15 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.54 -17.75 15.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.3 t -52.63 -37.29 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -54.48 -30.36 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -89.34 -14.74 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.1 mttt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.564 0.697 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.69 -31.19 21.31 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-30 -76.59 110.51 11.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -110.32 135.38 51.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.07 107.45 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -67.67 -10.95 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.51 -51.9 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -116.03 -41.91 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 14.1 3.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 1.6 mmmm -68.87 177.6 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.08 156.92 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 20.5 m-85 -162.01 151.19 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.14 -54.77 8.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.4 p -110.24 175.67 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' LEU . 11.2 tpt180 -68.09 -60.14 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -40.99 -45.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -64.31 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 tp -79.55 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.7 m -49.9 -48.32 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.03 -31.62 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.2 t60 -89.43 -33.02 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.71 -17.04 45.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -54.8 -30.32 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -62.1 -25.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -92.8 -15.48 26.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.651 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.6 mmtm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.571 0.701 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.77 -27.1 26.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.305 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -79.24 118.12 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -114.04 131.52 56.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.91 110.98 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -70.15 -10.56 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -75.06 -51.46 13.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.21 -39.01 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.02 14.3 5.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.12 -178.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.52 159.38 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.038 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.9 m-85 -161.91 144.25 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.513 ' NE ' ' HZ3' ' A' ' 11' ' ' LYS . 16.8 mtt180 -64.12 -52.77 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 p -113.12 -175.08 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.8 tpt180 -77.09 -57.64 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -42.66 -46.54 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.85 -30.19 71.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 5.2 tp -79.61 -61.7 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 m -49.73 -46.89 50.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.68 -27.76 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -93.45 -34.76 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.74 -17.29 14.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.21 -32.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 pt -59.71 -26.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -93.65 -15.42 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.9 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.569 0.699 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.74 -30.13 22.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -75.03 116.85 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -113.19 131.31 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' GLY . 41.3 t -71.55 104.9 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.53 -11.05 40.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -73.94 -49.76 23.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -119.79 -41.12 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.28 13.24 3.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -68.12 177.83 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.926 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.13 159.14 42.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.97 147.05 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -67.6 -47.13 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -116.9 176.42 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -41.8 -44.57 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.83 -32.97 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -75.69 -56.33 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 54.1 m -52.61 -49.62 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -44.63 -30.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.0 t60 -90.55 -31.78 16.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 36' ' ' THR . 27.9 mt-30 -60.79 -15.61 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.8 t -53.93 -32.43 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.9 pt -60.74 -27.71 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -92.27 -13.32 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 32' ' ' GLN . 18.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.3 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.558 0.695 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.81 -30.94 21.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.6 m-30 -73.09 110.91 7.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -106.93 132.44 52.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.0 t -73.12 102.16 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.04 -11.99 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -72.96 -49.73 27.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -119.27 -39.83 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.86 14.48 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 mmmt -69.85 -178.44 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.67 157.19 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.6 m-85 -161.94 146.67 12.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -66.64 -52.97 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -111.77 -177.28 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.1 tpt180 -75.28 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.51 -46.0 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -64.81 -32.81 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -77.93 -60.19 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.8 m -50.99 -49.99 59.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -44.35 -31.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.3 t60 -89.67 -32.55 16.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.29 -19.96 50.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.16 -38.3 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 pt -53.39 -31.19 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -89.39 -16.87 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.638 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.4 mmtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.597 0.713 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -25.7 28.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.1 m-85 -82.69 110.66 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -108.04 130.37 55.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.8 t -70.11 108.1 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.13 -9.97 50.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -76.1 -51.62 11.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.92 -31.28 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.17 10.03 12.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 179.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.86 158.53 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 30.8 m-85 -161.94 140.15 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -59.92 -52.08 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -110.75 -174.69 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' NE ' ' OG1' ' A' ' 29' ' ' THR . 0.0 OUTLIER -82.48 -55.21 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -46.95 -37.98 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.03 -27.71 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.0 tp -81.11 -60.68 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.437 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.8 m -48.61 -47.03 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.52 -28.27 2.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -92.84 -34.78 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 36' ' ' THR . 29.7 mt-30 -58.33 -17.8 22.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.94 -33.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.34 -27.43 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -92.58 -14.21 28.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 32' ' ' GLN . 4.2 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -57.31 170.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.821 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -134.97 105.82 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.03 106.19 0.42 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 p -163.19 122.84 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -150.43 177.37 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.3 -52.66 1.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -166.7 170.11 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.133 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 25.05 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.455 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.9 pt-20 -136.8 133.21 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 14.7 mttp 38.8 49.45 2.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.516 0.674 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -31.66 20.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -76.02 118.76 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -116.47 127.93 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.29 110.68 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.81 -8.34 53.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.3 mt-10 -78.07 -50.44 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.13 -39.37 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.86 13.77 4.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -70.34 -179.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.69 160.53 38.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 34.8 m-85 -162.01 140.05 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.88 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.0 p -121.17 -174.73 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.48 -55.08 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.0 t -44.25 -46.64 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.83 -27.15 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.5 tp -79.9 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.421 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 m -47.2 -50.84 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -44.96 -26.16 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.84 -33.07 12.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -60.28 -15.77 28.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -53.83 -32.39 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 pt -60.49 -27.46 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -93.13 -12.4 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.9 p -89.55 117.51 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.11 172.1 47.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 39' ' ' LYS . 2.4 tp10 -122.06 159.86 26.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.959 0.409 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' GLU . 6.2 ttmm -34.53 -47.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -80.57 83.98 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.0 p -56.57 139.37 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.69 -160.66 36.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -14.83 36.61 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.345 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -94.09 165.24 12.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -60.69 -46.39 90.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.484 179.988 . . . . . . . . 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 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -75.13 81.57 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.824 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -118.49 -51.88 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.67 -107.27 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -115.97 103.8 10.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -94.15 79.37 4.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.16 83.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m -103.86 99.64 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -103.6 -28.05 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 3.6 pt-20 -89.39 138.16 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 48.8 mttt 34.54 51.33 1.09 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.3 Cg_endo -69.77 -29.97 22.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.7 m-30 -76.65 115.75 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -111.59 132.41 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.98 103.41 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.32 -10.72 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.49 -51.77 13.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.31 -42.1 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 15.13 2.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -71.37 -179.79 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.57 159.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 35.0 m-85 -161.73 144.81 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -65.1 -52.62 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -111.97 -177.25 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.4 tpt180 -75.34 -60.24 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -41.24 -42.87 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -65.37 -34.29 77.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -78.44 -60.17 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -50.75 -47.65 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -48.34 -28.29 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -91.85 -32.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.38 -16.94 26.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.41 -34.81 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.49 -28.76 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.1 m-70 -90.54 -14.09 33.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 p -91.3 79.04 5.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.33 105.94 0.45 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.43 73.71 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -38.86 145.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -80.19 44.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 t -113.15 80.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.426 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . -81.09 -141.44 3.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.444 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.1 Cg_endo -69.78 -15.79 37.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.369 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 m -147.44 143.93 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.3 t -97.94 -49.54 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.458 179.977 . . . . . . . . 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 1.451 -0.339 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -106.09 168.39 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t -62.49 110.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.18 -111.06 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -60.27 174.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -103.2 -59.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 142.38 -37.2 1.58 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 7' ' ' GLY . 12.9 t -34.15 145.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -111.37 -60.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -62.74 -174.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.4 mttt 69.9 54.99 0.49 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.53 26.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.69 112.0 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -109.1 135.75 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.54 107.47 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.77 -10.6 54.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.3 mt-10 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.58 -43.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.48 16.7 2.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.67 -178.86 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.44 157.87 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.4 m-85 -161.83 154.44 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -72.67 -59.96 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 p -109.06 170.49 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' LEU . 20.6 tpt180 -60.37 -59.54 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -40.76 -46.52 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.97 -32.9 74.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.02 -59.95 2.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.0 m -50.88 -51.52 50.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -42.4 -30.95 0.37 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -90.69 -33.4 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.41 HE21 ' CD ' ' A' ' 17' ' ' GLU . 3.3 mt-30 -58.01 -21.2 43.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.67 -39.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.7 pt -51.39 -32.39 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.7 m-70 -88.44 -19.15 26.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.3 p -83.98 135.3 34.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 173.44 96.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' GLY . 22.5 mm-40 -35.24 104.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -72.66 149.62 43.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 1.7 mpp_? -87.18 86.71 7.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.4 m -126.02 154.18 43.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.49 167.21 40.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.93 3.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.9 p -45.74 115.01 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 99.2 p -108.47 43.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.52 -179.968 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -141.65 121.34 13.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 m -120.13 43.15 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.14 156.48 0.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 29.9 p -155.8 116.38 3.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 110.808 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 38.9 t -36.72 135.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.06 122.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.5 p -100.6 162.64 12.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 0.0 111.157 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.78 162.04 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.7 pt-20 -85.23 139.63 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 38.7 mttt 32.94 51.92 0.82 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.68 -31.22 21.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.7 m-30 -74.92 115.15 14.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -110.81 129.01 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.3 t -68.51 107.65 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -67.92 -10.22 51.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -75.96 -50.99 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.28 -37.11 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 12.91 6.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -67.4 -176.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.315 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.55 158.43 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 31.5 m-85 -161.88 144.51 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -63.76 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 p -102.54 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.74 -58.84 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.97 -35.69 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.43 -32.94 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -75.98 -53.53 8.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.6 m -57.43 -47.8 80.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -46.19 -27.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -93.0 -35.5 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -57.21 -16.28 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.77 -34.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -57.56 -29.22 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.0 m-70 -90.21 -14.62 33.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -93.01 37.75 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.68 -141.51 7.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 61.51 40.88 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt 37.51 40.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -116.64 78.87 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.6 p -142.26 133.67 26.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.26 -171.12 29.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -178.74 2.48 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.364 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -63.91 -48.29 77.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 t -84.75 93.58 8.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.502 -179.999 . . . . . . . . 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 1.451 -0.311 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -147.1 146.3 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -100.24 133.25 44.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.46 107.27 1.34 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -124.31 42.45 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 p -83.42 121.98 27.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.09 -163.91 28.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -95.88 144.13 26.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.135 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -73.05 -58.48 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -87.18 179.42 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 22.2 mttp 73.7 54.45 0.28 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.514 0.673 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.72 -32.38 18.88 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.741 2.294 . . . . 0.0 112.34 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -73.51 110.76 8.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -109.49 136.04 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.82 99.94 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.57 -11.19 10.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.41 -51.19 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.0 p -117.27 -42.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 14.61 2.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 7.4 mmmt -70.75 178.44 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.91 157.35 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.1 m-85 -161.97 152.49 17.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.81 -55.2 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -109.32 170.71 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.6 tpt180 -63.27 -60.56 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -41.12 -46.97 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -61.72 -33.54 74.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.62 -61.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.5 m -48.76 -47.94 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m -46.27 -32.89 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 4.8 t60 -88.28 -32.83 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.42 -20.38 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -47.9 -39.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 pt -52.54 -32.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.5 m-70 -88.19 -19.86 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.2 p -83.26 119.97 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.96 96.65 0.26 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -112.88 -61.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.922 0.392 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.02 140.84 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' SER . 6.8 tpp85 70.67 39.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' ARG . 35.8 t -35.29 119.52 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.05 93.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -30.53 22.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.2 p -85.87 149.97 24.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 t -113.62 108.88 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.515 179.975 . . . . . . . . 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 -0.358 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -133.05 155.41 49.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -120.55 104.16 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.66 172.51 30.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.5 m -142.76 179.01 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 61.9 m -34.49 141.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.24 -43.43 0.17 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.8 p -61.8 97.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 111.149 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 176.41 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 5.9 pt-20 -92.47 138.23 31.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.7 mttp 33.93 51.46 0.98 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -31.18 20.92 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -73.97 114.15 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -111.07 130.74 55.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -70.1 108.46 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -67.66 -11.24 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.81 -50.56 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.28 -37.21 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.32 13.12 5.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.9 mmmt -65.62 -176.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.344 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -141.05 157.17 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.04 144.82 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -62.47 -55.64 25.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.9 p -109.55 -176.25 2.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.76 -55.26 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 t -45.64 -38.01 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -31.04 67.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.549 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -76.09 -57.04 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -52.55 -48.78 65.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -45.15 -27.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.8 t60 -94.18 -36.71 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.14 -16.71 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.46 -36.15 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 pt -56.37 -29.74 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -90.01 -15.61 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.4 p -90.0 142.69 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.78 108.48 2.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.536 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -96.38 41.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -162.38 136.36 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -80.79 43.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.7 m -131.97 86.42 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.79 131.43 5.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -48.9 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -104.83 -52.74 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m 59.76 41.5 18.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.474 -179.95 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -145.68 164.79 30.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 110.909 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -103.31 70.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.95 -74.54 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 m -95.34 162.55 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 m -102.37 152.31 21.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -135.18 -169.9 12.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 71.1 p -36.5 132.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.17 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -83.2 106.89 15.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 5.5 pt-20 -156.47 137.69 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 30.6 mttt 33.61 51.49 0.91 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.43 26.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.463 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-30 -78.24 114.46 17.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -109.6 133.17 53.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' GLY . 43.2 t -74.03 107.34 6.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -67.54 -11.17 57.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -74.7 -49.17 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -119.3 -39.32 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.15 13.91 4.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -69.51 -178.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -138.43 158.99 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 36.2 m-85 -161.8 144.92 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -64.52 -56.17 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.5 p -105.78 -179.26 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.48 -55.78 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -45.51 -41.27 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.05 -31.54 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 tp -75.21 -52.0 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.2 m -58.42 -50.55 73.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -43.1 -27.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -93.5 -35.85 12.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 36' ' ' THR . 27.7 mt-30 -57.13 -16.05 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.79 -33.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 pt -60.56 -25.24 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.7 m-70 -93.84 -13.91 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.6 p -90.99 128.79 36.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.44 108.77 0.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -101.81 149.42 24.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.396 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -100.31 155.3 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 152.7 40.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.5 m -141.84 158.9 43.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.13 -166.56 2.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 84.19 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.724 2.282 . . . . 0.0 112.362 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' SER . 42.8 p -80.41 171.65 14.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' SER . 39.1 t -37.1 124.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.537 -179.937 . . . . . . . . 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 -0.322 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 97.3 p 43.2 42.28 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.814 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 6.8 t -36.38 151.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.24 115.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -53.23 -49.31 67.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -84.92 174.8 9.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.07 36.15 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 p -124.29 98.26 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -72.16 129.47 38.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 2.1 pt-20 -130.78 139.52 50.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mttm 33.65 51.69 0.95 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.74 -31.72 20.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -74.22 117.94 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 34.1 tttt -114.19 134.2 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.7 t -72.64 100.93 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.84 -11.18 11.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.37 -52.74 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.47 -41.84 3.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.86 13.13 3.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.5 mmmt -68.84 177.89 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.03 159.14 42.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.6 m-85 -161.93 148.01 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.51 -46.73 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -123.9 -174.71 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.8 tpt180 -74.23 -59.64 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -40.19 -46.07 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -65.61 -32.47 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 tp -78.19 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -49.65 -49.0 48.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.61 -26.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.7 t60 -95.0 -32.94 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -59.96 -16.2 28.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.2 t -53.03 -29.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 pt -64.76 -23.4 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.5 m-70 -95.1 -6.05 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 p -93.36 52.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.11 144.04 15.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -127.62 -55.5 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -49.29 -50.18 40.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -81.46 48.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -96.4 -54.76 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.15 89.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.83 11.92 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' SER . 2.8 t -142.08 119.88 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' SER . 2.5 m -36.47 -51.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.206 -0.774 . . . . 0.0 112.44 179.992 . . . . . . . . 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 -0.32 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -118.28 42.27 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t 39.8 42.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.59 90.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -119.6 108.23 14.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -146.72 168.95 20.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.33 -50.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -54.24 152.44 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -104.95 79.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 2.0 pt-20 -106.06 139.32 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.9 mttp 34.01 51.37 0.98 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.55 0.69 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.632 2.222 . . . . 0.0 112.376 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.8 m-30 -75.0 113.62 12.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -109.1 133.28 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 39.1 t -73.71 103.33 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.22 -11.12 28.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -73.73 -50.19 21.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -118.33 -40.6 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.39 15.66 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -71.96 -178.18 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.37 158.18 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.87 147.03 13.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -65.62 -56.26 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.0 p -110.28 -178.24 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.7 tpt180 -72.46 -59.54 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -41.03 -45.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -63.73 -32.98 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.27 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.0 m -50.07 -47.65 53.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -47.4 -29.85 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.98 -32.23 16.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' O ' HG23 ' A' ' 36' ' ' THR . 28.7 mt-30 -60.09 -18.11 44.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.2 t -51.8 -35.1 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -57.34 -30.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.0 m-70 -89.68 -16.94 29.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.7 p -88.27 148.97 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.55 126.05 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -142.86 113.43 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.03 83.51 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.25 109.06 16.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 p -149.86 145.38 26.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.97 -106.21 2.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.23 11.28 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.8 p -50.88 141.7 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -170.85 129.17 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.487 -179.984 . . . . . . . . 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 1.452 -0.263 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 65.47 42.36 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -110.4 -53.66 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.37 -177.47 50.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -169.62 115.19 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -163.92 124.4 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.59 70.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.7 p -131.35 121.54 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 111.166 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? 69.22 39.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.0 pt-20 -157.52 138.02 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 40.5 mttt 34.34 51.24 1.03 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.83 -29.93 22.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.6 m-30 -75.72 114.88 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -111.34 129.13 56.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.0 t -69.15 105.09 2.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -66.0 -11.01 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.527 ' CD ' HE21 ' A' ' 32' ' ' GLN . 6.8 mt-10 -74.17 -51.31 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -117.4 -38.81 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 12.64 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -67.93 178.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.98 158.07 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 26.7 m-85 -162.02 148.41 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -67.54 -60.12 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -104.63 -176.54 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.514 HH11 HD23 ' A' ' 28' ' ' LEU . 25.5 tpt180 -74.26 -58.46 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.72 -42.45 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.21 -31.19 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -81.82 -61.39 1.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -50.44 -44.85 55.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -49.49 -28.88 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.7 t60 -92.51 -34.4 14.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.527 HE21 ' CD ' ' A' ' 17' ' ' GLU . 4.0 mt-30 -58.68 -15.56 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.37 -31.38 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 pt -61.76 -26.99 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -92.1 -10.39 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 32' ' ' GLN . 11.5 p -93.11 39.05 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.84 -119.22 4.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.67 -61.88 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -76.36 81.63 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -90.86 -52.06 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.0 p -79.99 89.97 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.88 -114.85 2.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 107.63 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.2 p -49.04 112.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.0 m -138.91 146.75 41.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.489 -179.99 . . . . . . . . 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 1.451 -0.339 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -102.38 96.48 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.358 . . . . 0.0 110.904 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 t -89.23 156.19 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.91 52.06 54.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -148.84 135.2 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -69.82 95.58 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.79 -122.47 2.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -87.15 91.69 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 111.103 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -79.68 5.51 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.54 -176.07 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.5 mttp 71.03 55.04 0.41 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.81 -28.03 25.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -77.38 115.13 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -111.92 134.6 53.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -73.9 113.91 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -73.1 -8.9 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.9 mt-10 -77.94 -48.25 16.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.63 -41.63 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.87 16.59 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -71.53 -175.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.96 158.43 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 28.8 m-85 -161.85 149.41 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.61 -56.22 8.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 p -108.52 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -53.46 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -48.02 -38.26 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.37 -30.58 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -78.76 -57.19 3.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -52.03 -48.5 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -46.05 -29.38 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -91.06 -33.95 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' ' 36' ' ' THR . 29.9 mt-30 -59.04 -13.18 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -57.51 -32.8 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -59.28 -28.23 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.2 m-70 -91.12 -14.12 31.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 32' ' ' GLN . 7.1 p -97.15 149.99 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.75 -100.65 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -146.99 168.85 20.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.8 40.15 30.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -116.31 43.21 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m 41.01 42.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.22 123.01 1.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -0.88 7.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 t -54.14 138.23 38.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 m -68.7 112.53 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 119.186 -0.786 . . . . 0.0 112.445 -179.997 . . . . . . . . 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 -0.327 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -111.06 81.36 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -139.52 170.67 15.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.61 48.04 12.57 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -41.05 -48.13 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.813 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -48.47 133.56 16.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.1 -46.69 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -72.97 146.16 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 111.204 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -91.35 129.35 37.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HG2' ' NE ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.08 -175.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.0 mttt 70.34 53.01 0.41 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.76 -28.66 25.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -74.32 103.29 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -102.27 137.35 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.95 117.87 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -80.46 13.97 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.5 mt-10 -105.29 -45.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.16 -38.19 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.34 16.05 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 25.2 mmtm -72.28 -178.66 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.52 157.36 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 15.7 m-85 -161.92 159.36 26.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' NE ' ' HG2' ' A' ' 10' ' ' GLU . 15.8 mtt180 -81.28 -60.05 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -105.24 154.79 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.3 tpt180 -48.97 -59.8 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -41.24 -45.03 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -64.28 -33.32 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.85 -60.39 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -51.14 -49.87 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 m -44.49 -31.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.0 t60 -89.1 -33.98 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.76 -17.22 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -53.07 -31.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.37 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 -92.59 -9.45 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p -90.37 40.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.48 171.95 28.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -133.96 121.99 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -46.13 129.09 9.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -98.48 133.43 42.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.5 p -78.55 120.11 22.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.27 -151.27 5.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 179.1 3.88 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -56.61 169.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -131.09 -53.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.507 179.995 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.68 159.14 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -162.79 172.93 14.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.35 -169.96 18.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -112.95 107.27 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -119.3 145.2 46.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.07 175.41 36.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.411 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 67.7 p -121.59 152.82 38.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 8' ' ' THR . 14.2 mptt -119.68 155.53 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -106.82 -176.64 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.2 mttt 69.53 54.95 0.51 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.9 m-85 -74.47 107.19 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.22 105.41 4.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -65.95 -10.41 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mt-10 -76.3 -51.34 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -114.62 -43.39 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.98 16.58 2.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -73.38 -177.3 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.27 158.01 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 29.5 m-85 -159.76 158.06 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -77.67 -55.77 5.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 p -109.81 171.58 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -58.53 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -43.83 -42.95 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.6 -30.27 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.83 -54.49 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -57.51 -50.29 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -42.49 -28.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -93.42 -34.95 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -57.18 -21.34 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -47.6 -39.95 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.4 pt -51.93 -31.79 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -88.05 -19.68 26.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -84.03 122.12 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.21 44.61 1.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -96.24 91.2 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.926 0.393 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -83.23 -56.67 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -138.25 139.26 39.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.6 p -113.12 92.75 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.93 -163.93 31.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.31 60.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 t -120.98 82.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 t -101.75 133.71 46.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.481 -179.961 . . . . . . . . 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 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.6 m -93.07 119.39 32.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.2 t -36.55 114.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.68 112.09 4.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.55 153.62 39.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -121.46 81.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.93 63.23 3.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -127.74 109.44 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -113.92 103.08 10.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 3.1 pt-20 -133.25 140.37 47.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.4 mttm 33.91 51.19 0.93 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.86 -31.57 19.84 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -71.41 113.07 8.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -108.94 134.84 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -74.94 106.43 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -66.55 -10.65 47.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.3 mt-10 -74.45 -50.02 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.44 -41.44 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.56 13.78 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -68.76 -179.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.33 158.45 44.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.0 m-85 -162.03 149.33 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.09 -57.23 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -103.87 -179.23 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -74.28 -58.1 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -46.34 -37.58 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -66.81 -30.73 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -81.46 -61.53 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.8 m -49.29 -48.18 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -46.27 -27.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 4.9 t60 -93.95 -32.52 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.96 -18.1 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -51.13 -37.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.3 pt -55.21 -29.57 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.4 m-70 -90.67 -16.7 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -94.85 128.97 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.62 39.78 2.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -130.06 -55.99 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -63.72 115.63 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -52.89 -47.18 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -56.62 -48.14 78.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.0 143.73 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 93.44 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 m -125.31 83.16 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -119.99 163.18 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.503 -179.992 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -80.74 103.59 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -67.78 94.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.59 -103.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.53 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -93.65 110.81 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -108.13 42.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.21 128.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 p -117.03 130.83 56.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -90.81 39.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.2 pt-20 -140.72 139.67 34.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 27.4 mttp 33.59 51.66 0.93 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.556 0.693 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.79 -31.77 19.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.727 2.284 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.22 113.35 11.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -111.27 129.33 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -69.03 109.16 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -68.86 -11.12 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.5 mt-10 -74.44 -49.3 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -119.51 -38.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.28 14.23 5.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.7 mmmt -66.91 -177.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.4 157.52 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.13 142.22 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -60.93 -50.72 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.2 p -113.46 -174.87 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -52.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 t -46.07 -41.47 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -69.59 -30.52 68.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -75.47 -56.57 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 m -53.38 -47.96 69.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 m -46.3 -29.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.6 t60 -92.16 -35.15 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.54 -17.75 15.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.3 t -52.63 -37.29 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -54.48 -30.36 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.5 m-70 -89.34 -14.74 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -90.48 165.41 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.86 -146.31 7.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -35.07 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.941 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.0 138.8 57.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 53.59 41.93 31.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.8 m -141.62 166.47 24.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.77 -130.43 2.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 85.28 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.71 2.273 . . . . 0.0 112.293 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.6 t -112.84 120.85 42.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -73.95 115.83 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m 58.54 42.21 21.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -51.11 -49.09 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.5 -53.09 0.5 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -119.78 42.39 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.909 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -118.81 125.0 48.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.47 -41.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.8 p -63.64 110.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.114 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -143.31 175.25 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.9 -174.79 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.1 mttt 69.16 54.84 0.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.69 -31.19 21.31 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-30 -76.59 110.51 11.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -110.32 135.38 51.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.07 107.45 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -67.67 -10.95 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.5 mt-10 -74.51 -51.9 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -116.03 -41.91 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 14.1 3.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 1.6 mmmm -68.87 177.6 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.08 156.92 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 20.5 m-85 -162.01 151.19 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.14 -54.77 8.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.4 p -110.24 175.67 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' LEU . 11.2 tpt180 -68.09 -60.14 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -40.99 -45.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -64.31 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 tp -79.55 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.7 m -49.9 -48.32 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.03 -31.62 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.2 t60 -89.43 -33.02 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.71 -17.04 45.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -54.8 -30.32 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -62.1 -25.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.3 m-70 -92.8 -15.48 26.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.5 p -88.07 130.67 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.74 -85.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -106.64 130.16 54.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -101.6 88.19 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -123.35 -52.05 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 m -60.71 -46.57 89.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.07 142.62 39.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 150.37 68.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 45' ' ' SER . 1.6 t -112.72 78.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' SER . 67.3 p 34.79 41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.506 179.984 . . . . . . . . 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 -0.299 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -127.28 131.78 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -60.17 -59.23 5.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 -144.7 15.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -57.75 143.84 40.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -78.68 -41.49 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.64 81.88 1.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 12' ' ' PRO . 10.3 m -83.17 124.96 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -131.01 -31.71 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.8 pt-20 -95.18 120.23 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.651 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.6 mmtm 54.13 41.35 0.89 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.571 0.701 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.77 -27.1 26.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.305 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -79.24 118.12 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -114.04 131.52 56.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.91 110.98 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -70.15 -10.56 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mt-10 -75.06 -51.46 13.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.21 -39.01 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.02 14.3 5.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.12 -178.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.52 159.38 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.038 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.9 m-85 -161.91 144.25 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.513 ' NE ' ' HZ3' ' A' ' 11' ' ' LYS . 16.8 mtt180 -64.12 -52.77 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 p -113.12 -175.08 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.8 tpt180 -77.09 -57.64 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -42.66 -46.54 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.85 -30.19 71.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 5.2 tp -79.61 -61.7 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 m -49.73 -46.89 50.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.68 -27.76 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -93.45 -34.76 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.74 -17.29 14.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.21 -32.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 pt -59.71 -26.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 85.9 m-70 -93.65 -15.42 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p -90.59 80.76 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.69 137.47 10.56 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -126.62 127.72 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -135.98 151.8 50.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -34.67 108.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 p -143.18 122.88 13.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.92 146.0 13.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 89.49 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 m -118.7 171.29 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.8 m -111.5 -59.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.481 -179.988 . . . . . . . . 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 1.451 -0.301 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -67.63 -53.64 26.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t 41.27 42.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 72.09 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -139.1 164.13 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -57.74 169.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.66 -150.09 5.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' LYS . 68.5 p -131.01 115.37 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 111.166 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' THR . 51.9 tttt -38.28 118.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 3.9 pt-20 -174.97 140.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.9 mttt 32.92 51.99 0.83 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.569 0.699 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.74 -30.13 22.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -75.03 116.85 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -113.19 131.31 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' GLY . 41.3 t -71.55 104.9 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.53 -11.05 40.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.94 -49.76 23.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -119.79 -41.12 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.28 13.24 3.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -68.12 177.83 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.926 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.13 159.14 42.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.97 147.05 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -67.6 -47.13 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -116.9 176.42 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -41.8 -44.57 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.83 -32.97 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -75.69 -56.33 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 54.1 m -52.61 -49.62 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -44.63 -30.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.0 t60 -90.55 -31.78 16.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 36' ' ' THR . 27.9 mt-30 -60.79 -15.61 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.8 t -53.93 -32.43 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.9 pt -60.74 -27.71 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.5 m-70 -92.27 -13.32 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 32' ' ' GLN . 18.6 p -92.01 146.42 23.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -56.47 -94.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.1 tt0 -37.61 136.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.392 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.21 121.62 35.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -63.65 -62.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -114.46 141.13 48.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.85 115.87 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.305 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -87.51 168.01 13.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -111.58 -44.53 3.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.522 -179.982 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -83.82 104.55 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -55.89 -54.6 42.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.53 115.39 3.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -108.56 130.54 55.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -79.35 129.13 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.3 -83.71 1.64 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -75.89 133.67 40.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -144.0 130.86 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.6 pt-20 -84.86 140.45 31.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.3 mttt 32.4 52.06 0.76 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.695 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HD3' ' C ' ' A' ' 10' ' ' GLU . 53.9 Cg_endo -69.81 -30.94 21.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.6 m-30 -73.09 110.91 7.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -106.93 132.44 52.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.0 t -73.12 102.16 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.04 -11.99 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -72.96 -49.73 27.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.7 p -119.27 -39.83 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.86 14.48 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 mmmt -69.85 -178.44 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.67 157.19 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.6 m-85 -161.94 146.67 12.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -66.64 -52.97 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -111.77 -177.28 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.1 tpt180 -75.28 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.51 -46.0 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -64.81 -32.81 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -77.93 -60.19 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.8 m -50.99 -49.99 59.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -44.35 -31.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.3 t60 -89.67 -32.55 16.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.29 -19.96 50.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.16 -38.3 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 pt -53.39 -31.19 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -89.39 -16.87 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 p -89.41 38.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.41 -137.97 5.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.3 mt-10 43.68 49.33 6.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER 34.15 54.95 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -82.03 -58.0 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 t -107.29 151.09 25.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.7 170.88 25.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -13.7 35.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 t 40.88 42.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -78.0 148.11 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.499 -179.993 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -121.32 133.28 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -127.94 -55.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.82 175.19 14.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -141.29 149.98 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -104.35 131.47 51.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.73 127.6 4.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 8' ' ' THR . 9.0 t -95.79 46.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 0.0 111.15 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -40.71 -72.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.485 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 5.4 pt-20 -175.36 121.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.4 mmtm 52.87 41.92 1.09 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -25.7 28.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.1 m-85 -82.69 110.66 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -108.04 130.37 55.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.8 t -70.11 108.1 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.13 -9.97 50.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -76.1 -51.62 11.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.92 -31.28 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.17 10.03 12.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 179.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.86 158.53 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 30.8 m-85 -161.94 140.15 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' A' ' 10' ' ' GLU . 31.1 mtt-85 -59.92 -52.08 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -110.75 -174.69 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' NE ' ' OG1' ' A' ' 29' ' ' THR . 0.0 OUTLIER -82.48 -55.21 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -46.95 -37.98 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.03 -27.71 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.0 tp -81.11 -60.68 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.437 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.8 m -48.61 -47.03 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.52 -28.27 2.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -92.84 -34.78 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 36' ' ' THR . 29.7 mt-30 -58.33 -17.8 22.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.94 -33.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.34 -27.43 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.4 m-70 -92.58 -14.21 28.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 32' ' ' GLN . 4.2 p -95.75 151.64 19.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.04 -86.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -83.37 80.83 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.374 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt -53.88 117.62 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -37.96 156.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.8 p -83.64 173.23 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.63 133.86 25.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.86 3.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t 74.87 43.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -133.62 121.4 21.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.507 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 14.7 mttp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 121.516 0.674 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -31.66 20.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -76.02 118.76 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -116.47 127.93 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.29 110.68 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.81 -8.34 53.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.3 mt-10 -78.07 -50.44 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.13 -39.37 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.86 13.77 4.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -70.34 -179.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.69 160.53 38.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 34.8 m-85 -162.01 140.05 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.88 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.0 p -121.17 -174.73 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.48 -55.08 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.0 t -44.25 -46.64 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.83 -27.15 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.5 tp -79.9 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.421 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 m -47.2 -50.84 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -44.96 -26.16 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.84 -33.07 12.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -60.28 -15.77 28.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -53.83 -32.39 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 pt -60.49 -27.46 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -93.13 -12.4 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 48.8 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.591 0.71 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.3 Cg_endo -69.77 -29.97 22.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.7 m-30 -76.65 115.75 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -111.59 132.41 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.98 103.41 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.32 -10.72 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.49 -51.77 13.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.31 -42.1 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 15.13 2.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -71.37 -179.79 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.57 159.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 35.0 m-85 -161.73 144.81 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -65.1 -52.62 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -111.97 -177.25 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.4 tpt180 -75.34 -60.24 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -41.24 -42.87 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -65.37 -34.29 77.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -78.44 -60.17 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -50.75 -47.65 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -48.34 -28.29 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -91.85 -32.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.38 -16.94 26.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.41 -34.81 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.49 -28.76 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.1 m-70 -90.54 -14.09 33.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.4 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.53 26.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.69 112.0 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -109.1 135.75 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.54 107.47 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.77 -10.6 54.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.3 mt-10 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.58 -43.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.48 16.7 2.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.67 -178.86 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.44 157.87 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.4 m-85 -161.83 154.44 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -72.67 -59.96 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 p -109.06 170.49 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' LEU . 20.6 tpt180 -60.37 -59.54 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -40.76 -46.52 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.97 -32.9 74.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.02 -59.95 2.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.0 m -50.88 -51.52 50.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -42.4 -30.95 0.37 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -90.69 -33.4 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.01 -21.2 43.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.67 -39.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.7 pt -51.39 -32.39 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.7 m-70 -88.44 -19.15 26.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 38.7 mttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.68 -31.22 21.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.7 m-30 -74.92 115.15 14.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -110.81 129.01 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.3 t -68.51 107.65 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -67.92 -10.22 51.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -75.96 -50.99 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.28 -37.11 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 12.91 6.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -67.4 -176.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.315 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.55 158.43 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 31.5 m-85 -161.88 144.51 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -63.76 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 p -102.54 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.548 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.74 -58.84 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.97 -35.69 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.43 -32.94 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -75.98 -53.53 8.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.6 m -57.43 -47.8 80.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -46.19 -27.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -93.0 -35.5 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -57.21 -16.28 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.77 -34.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -57.56 -29.22 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.0 m-70 -90.21 -14.62 33.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 22.2 mttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.514 0.673 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.72 -32.38 18.88 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.741 2.294 . . . . 0.0 112.34 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -73.51 110.76 8.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -109.49 136.04 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.82 99.94 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.57 -11.19 10.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.41 -51.19 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.0 p -117.27 -42.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 14.61 2.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 7.4 mmmt -70.75 178.44 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.91 157.35 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.1 m-85 -161.97 152.49 17.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.81 -55.2 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -109.32 170.71 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.6 tpt180 -63.27 -60.56 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -41.12 -46.97 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -61.72 -33.54 74.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.62 -61.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.5 m -48.76 -47.94 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m -46.27 -32.89 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 4.8 t60 -88.28 -32.83 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.42 -20.38 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -47.9 -39.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 pt -52.54 -32.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.5 m-70 -88.19 -19.86 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.7 mttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -31.18 20.92 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -73.97 114.15 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -111.07 130.74 55.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -70.1 108.46 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -67.66 -11.24 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.81 -50.56 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.28 -37.21 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.32 13.12 5.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.9 mmmt -65.62 -176.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.344 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -141.05 157.17 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.04 144.82 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -62.47 -55.64 25.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.9 p -109.55 -176.25 2.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.76 -55.26 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 t -45.64 -38.01 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -31.04 67.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.549 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -76.09 -57.04 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -52.55 -48.78 65.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -45.15 -27.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.8 t60 -94.18 -36.71 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.14 -16.71 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.46 -36.15 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 pt -56.37 -29.74 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -90.01 -15.61 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 30.6 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.43 26.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.463 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-30 -78.24 114.46 17.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -109.6 133.17 53.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' GLY . 43.2 t -74.03 107.34 6.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -67.54 -11.17 57.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -74.7 -49.17 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -119.3 -39.32 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.15 13.91 4.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -69.51 -178.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -138.43 158.99 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 36.2 m-85 -161.8 144.92 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -64.52 -56.17 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.5 p -105.78 -179.26 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.48 -55.78 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -45.51 -41.27 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.05 -31.54 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 tp -75.21 -52.0 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.2 m -58.42 -50.55 73.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -43.1 -27.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -93.5 -35.85 12.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 36' ' ' THR . 27.7 mt-30 -57.13 -16.05 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.79 -33.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 pt -60.56 -25.24 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.7 m-70 -93.84 -13.91 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.6 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mttm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.622 0.725 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.74 -31.72 20.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -74.22 117.94 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 34.1 tttt -114.19 134.2 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.7 t -72.64 100.93 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.84 -11.18 11.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.37 -52.74 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.47 -41.84 3.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.86 13.13 3.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.5 mmmt -68.84 177.89 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.03 159.14 42.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.6 m-85 -161.93 148.01 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.51 -46.73 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -123.9 -174.71 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.8 tpt180 -74.23 -59.64 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -40.19 -46.07 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -65.61 -32.47 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 tp -78.19 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -49.65 -49.0 48.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.61 -26.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.7 t60 -95.0 -32.94 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -59.96 -16.2 28.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.2 t -53.03 -29.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 pt -64.76 -23.4 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.5 m-70 -95.1 -6.05 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.9 mttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.55 0.69 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.632 2.222 . . . . 0.0 112.376 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.8 m-30 -75.0 113.62 12.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -109.1 133.28 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 39.1 t -73.71 103.33 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.22 -11.12 28.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -73.73 -50.19 21.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -118.33 -40.6 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.39 15.66 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -71.96 -178.18 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.37 158.18 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.87 147.03 13.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -65.62 -56.26 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.0 p -110.28 -178.24 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.7 tpt180 -72.46 -59.54 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -41.03 -45.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -63.73 -32.98 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.27 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.0 m -50.07 -47.65 53.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -47.4 -29.85 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.98 -32.23 16.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' O ' HG23 ' A' ' 36' ' ' THR . 28.7 mt-30 -60.09 -18.11 44.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.2 t -51.8 -35.1 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -57.34 -30.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.0 m-70 -89.68 -16.94 29.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 40.5 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.83 -29.93 22.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.6 m-30 -75.72 114.88 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -111.34 129.13 56.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.0 t -69.15 105.09 2.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -66.0 -11.01 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.8 mt-10 -74.17 -51.31 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -117.4 -38.81 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 12.64 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -67.93 178.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.98 158.07 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 26.7 m-85 -162.02 148.41 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -67.54 -60.12 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -104.63 -176.54 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.514 HH11 HD23 ' A' ' 28' ' ' LEU . 25.5 tpt180 -74.26 -58.46 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.72 -42.45 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.21 -31.19 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -81.82 -61.39 1.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -50.44 -44.85 55.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -49.49 -28.88 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.7 t60 -92.51 -34.4 14.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 36' ' ' THR . 29.0 mt-30 -58.68 -15.56 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.37 -31.38 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 pt -61.76 -26.99 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -92.1 -10.39 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 32' ' ' GLN . 11.5 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.5 mttp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.81 -28.03 25.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -77.38 115.13 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -111.92 134.6 53.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -73.9 113.91 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -73.1 -8.9 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.9 mt-10 -77.94 -48.25 16.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.63 -41.63 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.87 16.59 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -71.53 -175.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.96 158.43 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 28.8 m-85 -161.85 149.41 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.61 -56.22 8.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 p -108.52 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -53.46 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -48.02 -38.26 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.37 -30.58 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -78.76 -57.19 3.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -52.03 -48.5 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -46.05 -29.38 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -91.06 -33.95 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' ' 36' ' ' THR . 29.9 mt-30 -59.04 -13.18 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -57.51 -32.8 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -59.28 -28.23 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.2 m-70 -91.12 -14.12 31.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 32' ' ' GLN . 7.1 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.0 mttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.76 -28.66 25.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -74.32 103.29 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -102.27 137.35 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.95 117.87 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -80.46 13.97 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.5 mt-10 -105.29 -45.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.16 -38.19 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.34 16.05 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 25.2 mmtm -72.28 -178.66 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.52 157.36 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 15.7 m-85 -161.92 159.36 26.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -81.28 -60.05 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -105.24 154.79 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.3 tpt180 -48.97 -59.8 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -41.24 -45.03 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -64.28 -33.32 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.85 -60.39 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -51.14 -49.87 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 m -44.49 -31.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.0 t60 -89.1 -33.98 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.76 -17.22 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -53.07 -31.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.37 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 -92.59 -9.45 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.2 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.9 m-85 -74.47 107.19 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.22 105.41 4.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -65.95 -10.41 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mt-10 -76.3 -51.34 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -114.62 -43.39 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.98 16.58 2.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -73.38 -177.3 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.27 158.01 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 29.5 m-85 -159.76 158.06 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -77.67 -55.77 5.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 p -109.81 171.58 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -58.53 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -43.83 -42.95 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.6 -30.27 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.83 -54.49 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -57.51 -50.29 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -42.49 -28.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -93.42 -34.95 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -57.18 -21.34 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -47.6 -39.95 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.4 pt -51.93 -31.79 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -88.05 -19.68 26.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.4 mttm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.533 0.682 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.86 -31.57 19.84 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -71.41 113.07 8.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -108.94 134.84 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -74.94 106.43 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -66.55 -10.65 47.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.3 mt-10 -74.45 -50.02 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.44 -41.44 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.56 13.78 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -68.76 -179.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.33 158.45 44.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.0 m-85 -162.03 149.33 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.09 -57.23 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -103.87 -179.23 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -74.28 -58.1 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -46.34 -37.58 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -66.81 -30.73 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -81.46 -61.53 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.8 m -49.29 -48.18 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -46.27 -27.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 4.9 t60 -93.95 -32.52 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.96 -18.1 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -51.13 -37.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.3 pt -55.21 -29.57 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.4 m-70 -90.67 -16.7 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 27.4 mttp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.556 0.693 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.79 -31.77 19.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.727 2.284 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.22 113.35 11.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -111.27 129.33 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -69.03 109.16 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -68.86 -11.12 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.5 mt-10 -74.44 -49.3 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -119.51 -38.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.28 14.23 5.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.7 mmmt -66.91 -177.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.4 157.52 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.13 142.22 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -60.93 -50.72 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.2 p -113.46 -174.87 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -52.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 t -46.07 -41.47 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -69.59 -30.52 68.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -75.47 -56.57 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 m -53.38 -47.96 69.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 m -46.3 -29.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.6 t60 -92.16 -35.15 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.54 -17.75 15.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.3 t -52.63 -37.29 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -54.48 -30.36 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.5 m-70 -89.34 -14.74 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.1 mttt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.564 0.697 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.69 -31.19 21.31 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-30 -76.59 110.51 11.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -110.32 135.38 51.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.07 107.45 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -67.67 -10.95 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.5 mt-10 -74.51 -51.9 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -116.03 -41.91 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 14.1 3.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 1.6 mmmm -68.87 177.6 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.08 156.92 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 20.5 m-85 -162.01 151.19 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.14 -54.77 8.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.4 p -110.24 175.67 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' LEU . 11.2 tpt180 -68.09 -60.14 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -40.99 -45.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -64.31 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 tp -79.55 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.7 m -49.9 -48.32 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.03 -31.62 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.2 t60 -89.43 -33.02 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.71 -17.04 45.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -54.8 -30.32 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -62.1 -25.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.3 m-70 -92.8 -15.48 26.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.897 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.651 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.6 mmtm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.571 0.701 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.77 -27.1 26.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.305 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -79.24 118.12 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -114.04 131.52 56.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.91 110.98 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -70.15 -10.56 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mt-10 -75.06 -51.46 13.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.21 -39.01 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.02 14.3 5.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.12 -178.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.52 159.38 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.038 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.9 m-85 -161.91 144.25 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.513 ' NE ' ' HZ3' ' A' ' 11' ' ' LYS . 16.8 mtt180 -64.12 -52.77 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 p -113.12 -175.08 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.8 tpt180 -77.09 -57.64 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -42.66 -46.54 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.85 -30.19 71.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 5.2 tp -79.61 -61.7 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 m -49.73 -46.89 50.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.68 -27.76 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -93.45 -34.76 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.74 -17.29 14.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.21 -32.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 pt -59.71 -26.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 85.9 m-70 -93.65 -15.42 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.9 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.569 0.699 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.74 -30.13 22.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -75.03 116.85 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -113.19 131.31 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' GLY . 41.3 t -71.55 104.9 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.53 -11.05 40.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.94 -49.76 23.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -119.79 -41.12 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.28 13.24 3.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -68.12 177.83 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.926 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.13 159.14 42.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.97 147.05 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -67.6 -47.13 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -116.9 176.42 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -41.8 -44.57 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.83 -32.97 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -75.69 -56.33 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 54.1 m -52.61 -49.62 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -44.63 -30.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.0 t60 -90.55 -31.78 16.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 36' ' ' THR . 27.9 mt-30 -60.79 -15.61 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.8 t -53.93 -32.43 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.9 pt -60.74 -27.71 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.5 m-70 -92.27 -13.32 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 32' ' ' GLN . 18.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.3 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.558 0.695 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.81 -30.94 21.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.6 m-30 -73.09 110.91 7.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -106.93 132.44 52.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.0 t -73.12 102.16 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.04 -11.99 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -72.96 -49.73 27.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.7 p -119.27 -39.83 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.86 14.48 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 mmmt -69.85 -178.44 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.67 157.19 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.6 m-85 -161.94 146.67 12.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -66.64 -52.97 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -111.77 -177.28 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.1 tpt180 -75.28 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.51 -46.0 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -64.81 -32.81 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -77.93 -60.19 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.8 m -50.99 -49.99 59.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -44.35 -31.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.3 t60 -89.67 -32.55 16.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.29 -19.96 50.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.16 -38.3 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 pt -53.39 -31.19 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -89.39 -16.87 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.638 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.4 mmtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.597 0.713 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -25.7 28.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.1 m-85 -82.69 110.66 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -108.04 130.37 55.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.8 t -70.11 108.1 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.13 -9.97 50.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -76.1 -51.62 11.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.92 -31.28 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.17 10.03 12.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 179.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.86 158.53 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 30.8 m-85 -161.94 140.15 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -59.92 -52.08 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -110.75 -174.69 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' NE ' ' OG1' ' A' ' 29' ' ' THR . 0.0 OUTLIER -82.48 -55.21 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -46.95 -37.98 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.03 -27.71 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.0 tp -81.11 -60.68 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.437 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.8 m -48.61 -47.03 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.52 -28.27 2.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -92.84 -34.78 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 36' ' ' THR . 29.7 mt-30 -58.33 -17.8 22.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.94 -33.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.34 -27.43 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.4 m-70 -92.58 -14.21 28.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 32' ' ' GLN . 4.2 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -57.31 170.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.821 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -134.97 105.82 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.03 106.19 0.42 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.533 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 p -163.19 122.84 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -150.43 177.37 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.3 -52.66 1.22 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -166.7 170.11 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.133 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 25.05 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.455 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.9 pt-20 -136.8 133.21 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 14.7 mttp 38.8 49.45 2.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.516 0.674 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -31.66 20.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -76.02 118.76 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -116.47 127.93 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.29 110.68 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.81 -8.34 53.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.3 mt-10 -78.07 -50.44 12.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.13 -39.37 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.86 13.77 4.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -70.34 -179.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.69 160.53 38.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 34.8 m-85 -162.01 140.05 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.88 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.0 p -121.17 -174.73 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -79.48 -55.08 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.0 t -44.25 -46.64 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.83 -27.15 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.5 tp -79.9 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.421 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 8.7 m -47.2 -50.84 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -44.96 -26.16 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -94.84 -33.07 12.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -60.28 -15.77 28.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -53.83 -32.39 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 pt -60.49 -27.46 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -93.13 -12.4 30.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.9 p -89.55 117.51 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.145 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.11 172.1 47.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 39' ' ' LYS . 2.4 tp10 -122.06 159.86 26.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.959 0.409 . . . . 0.0 110.87 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' GLU . 6.2 ttmm -34.53 -47.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -80.57 83.98 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.0 p -56.57 139.37 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.69 -160.66 36.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -14.83 36.61 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.345 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -94.09 165.24 12.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -60.69 -46.39 90.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.484 179.988 . . . . . . . . 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 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -75.13 81.57 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.824 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -118.49 -51.88 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.67 -107.27 1.92 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -115.97 103.8 10.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -94.15 79.37 4.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.16 83.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m -103.86 99.64 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -103.6 -28.05 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 3.6 pt-20 -89.39 138.16 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 48.8 mttt 34.54 51.33 1.09 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.3 Cg_endo -69.77 -29.97 22.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.32 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.7 m-30 -76.65 115.75 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -111.59 132.41 54.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.0 t -71.98 103.41 3.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.32 -10.72 26.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.49 -51.77 13.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -116.31 -42.1 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 15.13 2.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -71.37 -179.79 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.57 159.1 42.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 35.0 m-85 -161.73 144.81 12.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -65.1 -52.62 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -111.97 -177.25 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.4 tpt180 -75.34 -60.24 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 t -41.24 -42.87 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -65.37 -34.29 77.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -78.44 -60.17 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.1 m -50.75 -47.65 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -48.34 -28.29 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -91.85 -32.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -59.38 -16.94 26.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.41 -34.81 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -57.49 -28.76 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.1 m-70 -90.54 -14.09 33.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 p -91.3 79.04 5.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.33 105.94 0.45 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.43 73.71 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -38.86 145.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -80.19 44.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.4 t -113.15 80.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.426 ' HA3' ' HD2' ' A' ' 43' ' ' PRO . . . -81.09 -141.44 3.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.444 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' HA3' ' A' ' 42' ' ' GLY . 53.1 Cg_endo -69.78 -15.79 37.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.369 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 m -147.44 143.93 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.3 t -97.94 -49.54 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.458 179.977 . . . . . . . . 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 1.451 -0.339 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -106.09 168.39 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t -62.49 110.98 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.18 -111.06 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -60.27 174.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -103.2 -59.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 8' ' ' THR . . . 142.38 -37.2 1.58 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 7' ' ' GLY . 12.9 t -34.15 145.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -111.37 -60.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -62.74 -174.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 36.4 mttt 69.9 54.99 0.49 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.53 26.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.69 112.0 14.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -109.1 135.75 49.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.54 107.47 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -67.77 -10.6 54.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.3 mt-10 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.58 -43.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.48 16.7 2.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.67 -178.86 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.44 157.87 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.4 m-85 -161.83 154.44 20.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -72.67 -59.96 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 p -109.06 170.49 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 28' ' ' LEU . 20.6 tpt180 -60.37 -59.54 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -40.76 -46.52 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -63.97 -32.9 74.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.02 -59.95 2.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.0 m -50.88 -51.52 50.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -42.4 -30.95 0.37 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -90.69 -33.4 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.01 -21.2 43.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.67 -39.93 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.7 pt -51.39 -32.39 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.7 m-70 -88.44 -19.15 26.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.3 p -83.98 135.3 34.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 173.44 96.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' GLY . 22.5 mm-40 -35.24 104.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -72.66 149.62 43.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 1.7 mpp_? -87.18 86.71 7.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.4 m -126.02 154.18 43.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.49 167.21 40.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.93 3.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.9 p -45.74 115.01 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 99.2 p -108.47 43.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.52 -179.968 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -141.65 121.34 13.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 m -120.13 43.15 2.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.14 156.48 0.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 29.9 p -155.8 116.38 3.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 110.808 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 38.9 t -36.72 135.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.06 122.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.5 p -100.6 162.64 12.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 0.0 111.157 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.78 162.04 38.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.7 pt-20 -85.23 139.63 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 38.7 mttt 32.94 51.92 0.82 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.68 -31.22 21.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.7 m-30 -74.92 115.15 14.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -110.81 129.01 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.3 t -68.51 107.65 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -67.92 -10.22 51.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -75.96 -50.99 13.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.28 -37.11 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.92 12.91 6.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -67.4 -176.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.315 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.55 158.43 44.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 31.5 m-85 -161.88 144.51 11.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -63.76 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 p -102.54 -174.66 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -81.74 -58.84 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.97 -35.69 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.43 -32.94 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -75.98 -53.53 8.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.6 m -57.43 -47.8 80.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -46.19 -27.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -93.0 -35.5 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -57.21 -16.28 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.77 -34.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -57.56 -29.22 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.0 m-70 -90.21 -14.62 33.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -93.01 37.75 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.68 -141.51 7.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 61.51 40.88 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt 37.51 40.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -116.64 78.87 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.6 p -142.26 133.67 26.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.26 -171.12 29.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -178.74 2.48 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.364 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.7 m -63.91 -48.29 77.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 t -84.75 93.58 8.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.502 -179.999 . . . . . . . . 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 1.451 -0.311 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -147.1 146.3 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -100.24 133.25 44.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.46 107.27 1.34 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -124.31 42.45 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 p -83.42 121.98 27.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.09 -163.91 28.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -95.88 144.13 26.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.135 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -73.05 -58.48 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -87.18 179.42 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 22.2 mttp 73.7 54.45 0.28 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.514 0.673 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.72 -32.38 18.88 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.741 2.294 . . . . 0.0 112.34 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -73.51 110.76 8.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -109.49 136.04 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.82 99.94 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -61.57 -11.19 10.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.41 -51.19 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.0 p -117.27 -42.72 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 14.61 2.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 7.4 mmmt -70.75 178.44 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.91 157.35 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.1 m-85 -161.97 152.49 17.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -73.81 -55.2 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -109.32 170.71 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' LEU . 19.6 tpt180 -63.27 -60.56 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -41.12 -46.97 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -61.72 -33.54 74.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.62 -61.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.5 m -48.76 -47.94 41.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m -46.27 -32.89 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.17 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 4.8 t60 -88.28 -32.83 18.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.42 -20.38 44.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -47.9 -39.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 pt -52.54 -32.61 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.5 m-70 -88.19 -19.86 26.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.2 p -83.26 119.97 25.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.96 96.65 0.26 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -112.88 -61.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.922 0.392 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.02 140.84 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' SER . 6.8 tpp85 70.67 39.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' ARG . 35.8 t -35.29 119.52 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.05 93.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -30.53 22.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.2 p -85.87 149.97 24.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 t -113.62 108.88 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.515 179.975 . . . . . . . . 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 -0.358 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -133.05 155.41 49.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -120.55 104.16 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.66 172.51 30.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.5 m -142.76 179.01 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 61.9 m -34.49 141.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.24 -43.43 0.17 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.8 p -61.8 97.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.899 0.381 . . . . 0.0 111.149 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 176.41 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 5.9 pt-20 -92.47 138.23 31.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.7 mttp 33.93 51.46 0.98 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -31.18 20.92 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.635 2.223 . . . . 0.0 112.341 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -73.97 114.15 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -111.07 130.74 55.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -70.1 108.46 4.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -67.66 -11.24 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.81 -50.56 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.28 -37.21 3.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 120.32 13.12 5.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.9 mmmt -65.62 -176.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.344 . . . . 0.0 110.842 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -141.05 157.17 45.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.04 144.82 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -62.47 -55.64 25.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.9 p -109.55 -176.25 2.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -78.76 -55.26 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 t -45.64 -38.01 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -31.04 67.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.549 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -76.09 -57.04 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.4 m -52.55 -48.78 65.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -45.15 -27.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.8 t60 -94.18 -36.71 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.14 -16.71 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.46 -36.15 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 pt -56.37 -29.74 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -90.01 -15.61 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.4 p -90.0 142.69 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.78 108.48 2.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.536 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -96.38 41.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -162.38 136.36 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -80.79 43.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.7 m -131.97 86.42 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.79 131.43 5.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -48.9 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -104.83 -52.74 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m 59.76 41.5 18.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.474 -179.95 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -145.68 164.79 30.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 110.909 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -103.31 70.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.95 -74.54 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 m -95.34 162.55 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 m -102.37 152.31 21.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -135.18 -169.9 12.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 7' ' ' GLY . 71.1 p -36.5 132.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.17 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -83.2 106.89 15.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 5.5 pt-20 -156.47 137.69 13.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 30.6 mttt 33.61 51.49 0.91 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.78 -27.43 26.36 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.463 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-30 -78.24 114.46 17.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -109.6 133.17 53.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' GLY . 43.2 t -74.03 107.34 6.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -67.54 -11.17 57.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mt-10 -74.7 -49.17 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -119.3 -39.32 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.15 13.91 4.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -69.51 -178.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -138.43 158.99 43.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 36.2 m-85 -161.8 144.92 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -64.52 -56.17 15.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.5 p -105.78 -179.26 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.48 -55.78 5.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -45.51 -41.27 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.05 -31.54 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.2 tp -75.21 -52.0 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.2 m -58.42 -50.55 73.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -43.1 -27.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -93.5 -35.85 12.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 36' ' ' THR . 27.7 mt-30 -57.13 -16.05 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.79 -33.02 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 pt -60.56 -25.24 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.7 m-70 -93.84 -13.91 26.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.6 p -90.99 128.79 36.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.44 108.77 0.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -101.81 149.42 24.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.396 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -100.31 155.3 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 152.7 40.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.5 m -141.84 158.9 43.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.13 -166.56 2.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 84.19 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.724 2.282 . . . . 0.0 112.362 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' SER . 42.8 p -80.41 171.65 14.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' SER . 39.1 t -37.1 124.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.537 -179.937 . . . . . . . . 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 -0.322 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 97.3 p 43.2 42.28 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.814 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 6.8 t -36.38 151.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.24 115.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -53.23 -49.31 67.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.3 p -84.92 174.8 9.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.07 36.15 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 p -124.29 98.26 5.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -72.16 129.47 38.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 2.1 pt-20 -130.78 139.52 50.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.1 mttm 33.65 51.69 0.95 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.74 -31.72 20.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -74.22 117.94 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 34.1 tttt -114.19 134.2 55.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' GLY . 42.7 t -72.64 100.93 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -61.84 -11.18 11.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mt-10 -74.37 -52.74 11.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.47 -41.84 3.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.86 13.13 3.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 10.5 mmmt -68.84 177.89 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.03 159.14 42.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.6 m-85 -161.93 148.01 13.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.51 -46.73 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -123.9 -174.71 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.8 tpt180 -74.23 -59.64 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.8 t -40.19 -46.07 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -65.61 -32.47 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.7 tp -78.19 -59.73 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -49.65 -49.0 48.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.61 -26.8 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.7 t60 -95.0 -32.94 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -59.96 -16.2 28.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.2 t -53.03 -29.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.3 pt -64.76 -23.4 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.5 m-70 -95.1 -6.05 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 p -93.36 52.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 95.11 144.04 15.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -127.62 -55.5 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -49.29 -50.18 40.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -81.46 48.75 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -96.4 -54.76 3.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.15 89.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.83 11.92 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' SER . 2.8 t -142.08 119.88 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' SER . 2.5 m -36.47 -51.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.206 -0.774 . . . . 0.0 112.44 179.992 . . . . . . . . 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 -0.32 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -118.28 42.27 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t 39.8 42.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.59 90.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -119.6 108.23 14.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -146.72 168.95 20.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.797 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.33 -50.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -54.24 152.44 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -104.95 79.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 2.0 pt-20 -106.06 139.32 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.9 mttp 34.01 51.37 0.98 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.55 0.69 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.632 2.222 . . . . 0.0 112.376 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.8 m-30 -75.0 113.62 12.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -109.1 133.28 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' GLY . 39.1 t -73.71 103.33 4.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -64.22 -11.12 28.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.1 mt-10 -73.73 -50.19 21.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -118.33 -40.6 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.39 15.66 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -71.96 -178.18 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.37 158.18 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.87 147.03 13.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -65.62 -56.26 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.0 p -110.28 -178.24 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.7 tpt180 -72.46 -59.54 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -41.03 -45.83 2.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -63.73 -32.98 74.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -79.27 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.0 m -50.07 -47.65 53.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.187 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m -47.4 -29.85 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.98 -32.23 16.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' O ' HG23 ' A' ' 36' ' ' THR . 28.7 mt-30 -60.09 -18.11 44.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.2 t -51.8 -35.1 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 pt -57.34 -30.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.0 m-70 -89.68 -16.94 29.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.7 p -88.27 148.97 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.55 126.05 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -142.86 113.43 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.03 83.51 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.25 109.06 16.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 p -149.86 145.38 26.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.97 -106.21 2.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.23 11.28 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.8 p -50.88 141.7 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -170.85 129.17 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.487 -179.984 . . . . . . . . 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 1.452 -0.263 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 65.47 42.36 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -110.4 -53.66 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.37 -177.47 50.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -169.62 115.19 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -163.92 124.4 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.59 70.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.7 p -131.35 121.54 24.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 111.166 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? 69.22 39.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.0 pt-20 -157.52 138.02 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 40.5 mttt 34.34 51.24 1.03 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.83 -29.93 22.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.326 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.6 m-30 -75.72 114.88 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -111.34 129.13 56.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' GLY . 49.0 t -69.15 105.09 2.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -66.0 -11.01 44.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.8 mt-10 -74.17 -51.31 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -117.4 -38.81 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 12.64 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -67.93 178.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.98 158.07 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 26.7 m-85 -162.02 148.41 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -67.54 -60.12 2.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -104.63 -176.54 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.514 HH11 HD23 ' A' ' 28' ' ' LEU . 25.5 tpt180 -74.26 -58.46 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -43.72 -42.45 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.21 -31.19 72.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 5.6 tp -81.82 -61.39 1.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -50.44 -44.85 55.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -49.49 -28.88 5.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.208 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.7 t60 -92.51 -34.4 14.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 36' ' ' THR . 29.0 mt-30 -58.68 -15.56 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.37 -31.38 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 pt -61.76 -26.99 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -92.1 -10.39 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 32' ' ' GLN . 11.5 p -93.11 39.05 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.84 -119.22 4.42 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -61.67 -61.88 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -76.36 81.63 3.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -90.86 -52.06 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.0 p -79.99 89.97 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.88 -114.85 2.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 107.63 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.2 p -49.04 112.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.0 m -138.91 146.75 41.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.489 -179.99 . . . . . . . . 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 1.451 -0.339 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -102.38 96.48 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.358 . . . . 0.0 110.904 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 t -89.23 156.19 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.91 52.06 54.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -148.84 135.2 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -69.82 95.58 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.79 -122.47 2.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -87.15 91.69 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.377 . . . . 0.0 111.103 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -79.68 5.51 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.54 -176.07 2.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 17.5 mttp 71.03 55.04 0.41 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.602 0.715 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.81 -28.03 25.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -77.38 115.13 16.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -111.92 134.6 53.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.6 t -73.9 113.91 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -73.1 -8.9 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.9 mt-10 -77.94 -48.25 16.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.63 -41.63 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.87 16.59 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -71.53 -175.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.96 158.43 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 28.8 m-85 -161.85 149.41 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -68.61 -56.22 8.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 p -108.52 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -53.46 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -48.02 -38.26 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.37 -30.58 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -78.76 -57.19 3.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.5 m -52.03 -48.5 64.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.5 m -46.05 -29.38 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -91.06 -33.95 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' ' 36' ' ' THR . 29.9 mt-30 -59.04 -13.18 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -57.51 -32.8 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -59.28 -28.23 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.2 m-70 -91.12 -14.12 31.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 32' ' ' GLN . 7.1 p -97.15 149.99 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.75 -100.65 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -146.99 168.85 20.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.8 40.15 30.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -116.31 43.21 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m 41.01 42.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.22 123.01 1.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -0.88 7.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.4 t -54.14 138.23 38.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 m -68.7 112.53 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 119.186 -0.786 . . . . 0.0 112.445 -179.997 . . . . . . . . 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 -0.327 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -111.06 81.36 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -139.52 170.67 15.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.61 48.04 12.57 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -41.05 -48.13 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.813 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -48.47 133.56 16.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.1 -46.69 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.4 m -72.97 146.16 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 0.0 111.204 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -91.35 129.35 37.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HG2' ' NE ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.08 -175.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 20.0 mttt 70.34 53.01 0.41 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.76 -28.66 25.0 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -74.32 103.29 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -102.27 137.35 40.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.95 117.87 15.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -80.46 13.97 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.5 mt-10 -105.29 -45.38 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.16 -38.19 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.34 16.05 4.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 25.2 mmtm -72.28 -178.66 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.52 157.36 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 15.7 m-85 -161.92 159.36 26.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' NE ' ' HG2' ' A' ' 10' ' ' GLU . 15.8 mtt180 -81.28 -60.05 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -105.24 154.79 19.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 28' ' ' LEU . 16.3 tpt180 -48.97 -59.8 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 t -41.24 -45.03 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -64.28 -33.32 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.85 -60.39 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 m -51.14 -49.87 59.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 m -44.49 -31.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.0 t60 -89.1 -33.98 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.76 -17.22 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -53.07 -31.67 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.37 -26.08 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.4 m-70 -92.59 -9.45 41.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 p -90.37 40.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.48 171.95 28.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -133.96 121.99 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -46.13 129.09 9.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -98.48 133.43 42.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.5 p -78.55 120.11 22.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.27 -151.27 5.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 179.1 3.88 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -56.61 169.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t -131.09 -53.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.181 -0.788 . . . . 0.0 112.507 179.995 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.68 159.14 18.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.893 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -162.79 172.93 14.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.35 -169.96 18.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -112.95 107.27 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -119.3 145.2 46.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.07 175.41 36.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.411 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 67.7 p -121.59 152.82 38.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.158 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 8' ' ' THR . 14.2 mptt -119.68 155.53 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -106.82 -176.64 3.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 34.2 mttt 69.53 54.95 0.51 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.546 0.689 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -29.94 22.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.9 m-85 -74.47 107.19 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -73.22 105.41 4.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -65.95 -10.41 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mt-10 -76.3 -51.34 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -114.62 -43.39 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.98 16.58 2.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -73.38 -177.3 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.27 158.01 44.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 29.5 m-85 -159.76 158.06 30.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -77.67 -55.77 5.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 p -109.81 171.58 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' NH1' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -58.53 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -43.83 -42.95 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.6 -30.27 70.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.3 tp -78.83 -54.49 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -57.51 -50.29 73.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -42.49 -28.59 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -93.42 -34.95 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -57.18 -21.34 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -47.6 -39.95 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.4 pt -51.93 -31.79 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -88.05 -19.68 26.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -84.03 122.12 28.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.21 44.61 1.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -96.24 91.2 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.926 0.393 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -83.23 -56.67 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -138.25 139.26 39.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.6 p -113.12 92.75 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.93 -163.93 31.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.31 60.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 t -120.98 82.72 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 t -101.75 133.71 46.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.481 -179.961 . . . . . . . . 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 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.6 m -93.07 119.39 32.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.2 t -36.55 114.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.68 112.09 4.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.55 153.62 39.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -121.46 81.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.93 63.23 3.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.0 m -127.74 109.44 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -113.92 103.08 10.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 3.1 pt-20 -133.25 140.37 47.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.4 mttm 33.91 51.19 0.93 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.533 0.682 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.86 -31.57 19.84 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -71.41 113.07 8.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -108.94 134.84 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.6 t -74.94 106.43 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -66.55 -10.65 47.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.3 mt-10 -74.45 -50.02 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -119.44 -41.44 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.56 13.78 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -68.76 -179.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.33 158.45 44.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 24.0 m-85 -162.03 149.33 14.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -70.09 -57.23 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 p -103.87 -179.23 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -74.28 -58.1 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -46.34 -37.58 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -66.81 -30.73 71.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 tp -81.46 -61.53 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.8 m -49.29 -48.18 46.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -46.27 -27.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 4.9 t60 -93.95 -32.52 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -58.96 -18.1 30.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -51.13 -37.32 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.3 pt -55.21 -29.57 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.4 m-70 -90.67 -16.7 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -94.85 128.97 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.62 39.78 2.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -130.06 -55.99 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -63.72 115.63 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -52.89 -47.18 68.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -56.62 -48.14 78.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.0 143.73 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 93.44 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.7 m -125.31 83.16 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -119.99 163.18 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.503 -179.992 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -80.74 103.59 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -67.78 94.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.59 -103.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.53 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -93.65 110.81 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -108.13 42.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.21 128.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 p -117.03 130.83 56.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -90.81 39.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.2 pt-20 -140.72 139.67 34.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 27.4 mttp 33.59 51.66 0.93 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.556 0.693 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.79 -31.77 19.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.727 2.284 . . . . 0.0 112.348 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.22 113.35 11.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -111.27 129.33 56.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.9 t -69.03 109.16 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -68.86 -11.12 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.5 mt-10 -74.44 -49.3 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -119.51 -38.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 121.28 14.23 5.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 8.7 mmmt -66.91 -177.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -140.4 157.52 45.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 28.7 m-85 -162.13 142.22 10.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -60.93 -50.72 72.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.2 p -113.46 -174.87 2.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -52.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.1 t -46.07 -41.47 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -69.59 -30.52 68.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 tp -75.47 -56.57 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 m -53.38 -47.96 69.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.7 m -46.3 -29.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.6 t60 -92.16 -35.15 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.54 -17.75 15.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.3 t -52.63 -37.29 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 pt -54.48 -30.36 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.5 m-70 -89.34 -14.74 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -90.48 165.41 13.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.86 -146.31 7.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -35.07 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.941 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.0 138.8 57.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 53.59 41.93 31.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.8 m -141.62 166.47 24.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.77 -130.43 2.49 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 85.28 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.71 2.273 . . . . 0.0 112.293 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.6 t -112.84 120.85 42.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -73.95 115.83 13.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m 58.54 42.21 21.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -51.11 -49.09 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.5 -53.09 0.5 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -119.78 42.39 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.909 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -118.81 125.0 48.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.47 -41.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.8 p -63.64 110.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.114 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -143.31 175.25 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.9 -174.79 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.1 mttt 69.16 54.84 0.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.69 -31.19 21.31 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-30 -76.59 110.51 11.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -110.32 135.38 51.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.07 107.45 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -67.67 -10.95 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.5 mt-10 -74.51 -51.9 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.1 p -116.03 -41.91 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.05 14.1 3.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 1.6 mmmm -68.87 177.6 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.08 156.92 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 20.5 m-85 -162.01 151.19 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -72.14 -54.77 8.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.4 p -110.24 175.67 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 28' ' ' LEU . 11.2 tpt180 -68.09 -60.14 2.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -40.99 -45.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -64.31 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 4.0 tp -79.55 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.7 m -49.9 -48.32 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -46.03 -31.62 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.2 t60 -89.43 -33.02 16.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.71 -17.04 45.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -54.8 -30.32 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 pt -62.1 -25.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 89.3 m-70 -92.8 -15.48 26.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.5 p -88.07 130.67 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.74 -85.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -106.64 130.16 54.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -101.6 88.19 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -123.35 -52.05 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 m -60.71 -46.57 89.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.07 142.62 39.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 150.37 68.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 45' ' ' SER . 1.6 t -112.72 78.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' SER . 67.3 p 34.79 41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.506 179.984 . . . . . . . . 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 -0.299 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -127.28 131.78 50.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -60.17 -59.23 5.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.85 -144.7 15.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -57.75 143.84 40.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -78.68 -41.49 31.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.64 81.88 1.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 12' ' ' PRO . 10.3 m -83.17 124.96 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -131.01 -31.71 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.8 pt-20 -95.18 120.23 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.651 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 9.6 mmtm 54.13 41.35 0.89 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.571 0.701 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.77 -27.1 26.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.305 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -79.24 118.12 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -114.04 131.52 56.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -71.91 110.98 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -70.15 -10.56 59.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.6 mt-10 -75.06 -51.46 13.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.21 -39.01 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.02 14.3 5.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -70.12 -178.16 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.52 159.38 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.038 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 33.9 m-85 -161.91 144.25 11.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.513 ' NE ' ' HZ3' ' A' ' 11' ' ' LYS . 16.8 mtt180 -64.12 -52.77 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 p -113.12 -175.08 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.8 tpt180 -77.09 -57.64 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.8 t -42.66 -46.54 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.85 -30.19 71.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.521 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 5.2 tp -79.61 -61.7 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.5 m -49.73 -46.89 50.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.68 -27.76 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -93.45 -34.76 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.74 -17.29 14.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.21 -32.98 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.8 pt -59.71 -26.97 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 85.9 m-70 -93.65 -15.42 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p -90.59 80.76 5.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.69 137.47 10.56 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -126.62 127.72 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -135.98 151.8 50.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -34.67 108.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.1 p -143.18 122.88 13.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.92 146.0 13.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 89.49 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 m -118.7 171.29 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.8 m -111.5 -59.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.481 -179.988 . . . . . . . . 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 1.451 -0.301 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -67.63 -53.64 26.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t 41.27 42.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 72.09 0.41 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -139.1 164.13 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -57.74 169.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.66 -150.09 5.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' LYS . 68.5 p -131.01 115.37 16.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 111.166 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' THR . 51.9 tttt -38.28 118.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 3.9 pt-20 -174.97 140.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 37.9 mttt 32.92 51.99 0.83 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.569 0.699 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.74 -30.13 22.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -75.03 116.85 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -113.19 131.31 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' GLY . 41.3 t -71.55 104.9 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -65.53 -11.05 40.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -73.94 -49.76 23.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -119.79 -41.12 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.28 13.24 3.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -68.12 177.83 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.926 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -136.13 159.14 42.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 33.0 m-85 -161.97 147.05 12.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -67.6 -47.13 70.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -116.9 176.42 5.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -71.71 -60.3 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -41.8 -44.57 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.83 -32.97 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.1 tp -75.69 -56.33 4.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.45 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 54.1 m -52.61 -49.62 64.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -44.63 -30.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.0 t60 -90.55 -31.78 16.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 36' ' ' THR . 27.9 mt-30 -60.79 -15.61 31.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.8 t -53.93 -32.43 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.9 pt -60.74 -27.71 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.5 m-70 -92.27 -13.32 30.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 32' ' ' GLN . 18.6 p -92.01 146.42 23.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -56.47 -94.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.438 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.1 tt0 -37.61 136.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.392 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.21 121.62 35.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -63.65 -62.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 t -114.46 141.13 48.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.85 115.87 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.305 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -87.51 168.01 13.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -111.58 -44.53 3.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.522 -179.982 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -83.82 104.55 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -55.89 -54.6 42.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.53 115.39 3.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -108.56 130.54 55.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -79.35 129.13 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.3 -83.71 1.64 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.0 p -75.89 133.67 40.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -144.0 130.86 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 4.6 pt-20 -84.86 140.45 31.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 32.3 mttt 32.4 52.06 0.76 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.558 0.695 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HD3' ' C ' ' A' ' 10' ' ' GLU . 53.9 Cg_endo -69.81 -30.94 21.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.6 m-30 -73.09 110.91 7.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -106.93 132.44 52.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 46.0 t -73.12 102.16 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.04 -11.99 23.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 mt-10 -72.96 -49.73 27.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 25.7 p -119.27 -39.83 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.86 14.48 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 mmmt -69.85 -178.44 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -139.67 157.19 46.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 27.6 m-85 -161.94 146.67 12.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -66.64 -52.97 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.8 p -111.77 -177.28 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.1 tpt180 -75.28 -59.53 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.51 -46.0 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -64.81 -32.81 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 3.8 tp -77.93 -60.19 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.8 m -50.99 -49.99 59.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -44.35 -31.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 5.3 t60 -89.67 -32.55 16.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -59.29 -19.96 50.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.16 -38.3 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 pt -53.39 -31.19 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.158 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 90.0 m-70 -89.39 -16.87 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 p -89.41 38.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.41 -137.97 5.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.3 mt-10 43.68 49.33 6.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER 34.15 54.95 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -82.03 -58.0 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 t -107.29 151.09 25.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.7 170.88 25.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -13.7 35.07 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 t 40.88 42.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -78.0 148.11 34.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.499 -179.993 . . . . . . . . 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 1.452 -0.298 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -121.32 133.28 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -127.94 -55.94 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.82 175.19 14.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -141.29 149.98 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.8 p -104.35 131.47 51.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.73 127.6 4.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 8' ' ' THR . 9.0 t -95.79 46.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 0.0 111.15 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -40.71 -72.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.485 ' C ' ' HD3' ' A' ' 12' ' ' PRO . 5.4 pt-20 -175.36 121.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.4 mmtm 52.87 41.92 1.09 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.75 -25.7 28.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.379 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.1 m-85 -82.69 110.66 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -108.04 130.37 55.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.8 t -70.11 108.1 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -68.13 -9.97 50.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.2 mt-10 -76.1 -51.62 11.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.92 -31.28 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 115.17 10.03 12.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 179.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.546 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -137.86 158.53 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 30.8 m-85 -161.94 140.15 9.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' NH1' ' HA ' ' A' ' 10' ' ' GLU . 31.1 mtt-85 -59.92 -52.08 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p -110.75 -174.69 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' NE ' ' OG1' ' A' ' 29' ' ' THR . 0.0 OUTLIER -82.48 -55.21 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -46.95 -37.98 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -71.03 -27.71 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HA ' ' CG ' ' A' ' 22' ' ' PHE . 3.0 tp -81.11 -60.68 2.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.437 ' OG1' ' NE ' ' A' ' 25' ' ' ARG . 16.8 m -48.61 -47.03 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 m -47.52 -28.27 2.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -92.84 -34.78 13.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 36' ' ' THR . 29.7 mt-30 -58.33 -17.8 22.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.94 -33.58 24.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.4 pt -58.34 -27.43 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 88.4 m-70 -92.58 -14.21 28.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 32' ' ' GLN . 4.2 p -95.75 151.64 19.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.04 -86.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -83.37 80.83 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.374 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt -53.88 117.62 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -37.96 156.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.8 p -83.64 173.23 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.63 133.86 25.69 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.86 3.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t 74.87 43.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -133.62 121.4 21.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.507 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_