data_1x4w_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 1x4w _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 ' 17' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 25' ' ' LEU . 38.4 mtt85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 t -45.36 165.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.79 -2.34 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -117.71 -43.72 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.51 -11.85 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 55.33 39.94 31.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 t -86.44 161.6 18.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -72.72 128.08 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 17' ' ' ARG . 10.0 mt -112.87 121.13 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -66.05 167.87 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.85 -40.37 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -71.01 -49.22 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' GLN . 2.3 mm-40 -54.67 -62.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' GLN . 72.3 mt-30 -35.15 -35.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLN . 24.0 mm-40 -82.23 -50.8 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.22 -61.73 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.0 -43.76 8.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.22 150.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.05 -179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -88.85 -36.17 16.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 p -51.23 -43.6 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.03 23.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.4 m-85 -136.71 149.08 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -111.37 131.4 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.2 m-85 -124.91 -179.89 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' ARG . 27.3 p -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.1 ttp -64.94 -8.32 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.37 -28.78 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -117.1 15.19 15.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' CYS . 10.1 ptt180 -67.62 -35.97 79.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.5 mt -62.53 152.63 80.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.82 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -54.75 -29.6 54.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 16.3 mm-40 -63.47 -43.26 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.508 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 24.8 p-80 -111.23 35.26 3.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.4 m-20 33.65 46.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ASP . 26.5 t -36.5 139.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -83.64 -31.6 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.99 164.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.28 -2.78 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -116.0 -40.89 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -113.83 -11.4 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 56.58 44.25 24.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 6.3 t -92.15 144.65 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -61.39 120.25 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.98 132.87 47.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.56 159.18 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.429 HD11 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -38.01 -54.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.7 m -58.94 -48.14 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 30' ' ' GLN . 25.6 mm100 -53.97 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' GLN . 71.5 mt-30 -33.51 -38.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' GLN . 34.4 mm-40 -83.11 -47.62 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.0 mp -65.8 -66.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.4 -38.85 5.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.6 p -35.29 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.5 179.45 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -88.07 -37.2 16.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 p -50.79 -42.49 58.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.23 25.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.4 m-85 -136.55 151.14 49.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -113.13 129.55 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.722 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -123.6 175.15 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.4 p -83.82 177.54 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -63.56 -9.31 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.02 -27.93 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.0 16.82 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -66.98 -34.99 78.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.27 154.05 64.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.493 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.77 -51.0 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.383 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -58.4 -27.05 63.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.26 -41.54 99.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.5 p-80 -112.11 36.91 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' CYS . 22.6 t0 35.74 42.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ASP . 30.5 t -35.63 141.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 55' ' ' PHE . 14.0 t -88.41 -32.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 54' ' ' THR . 4.8 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' CA ' HD11 ' A' ' 25' ' ' LEU . 55.5 mtt180 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 16.3 t -51.42 166.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.98 -6.77 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -117.59 -40.41 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -110.94 0.28 17.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.59 ' NE2' ' N ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 39.46 46.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 t -89.84 155.46 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -64.39 116.8 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.418 HD11 ' CA ' ' A' ' 17' ' ' ARG . 11.9 mt -102.81 133.88 47.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -76.96 155.47 32.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' N ' HD21 ' A' ' 27' ' ' LEU . 3.6 mm? -46.19 -39.2 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.7 p -75.63 -26.85 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 tm0? -78.45 -64.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLN . 76.1 mt-30 -33.26 -37.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 48.5 mm-40 -76.89 -51.03 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.5 mp -64.96 -62.38 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.99 -34.7 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -39.26 148.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -120.63 178.75 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -87.03 -36.99 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 p -49.98 -42.69 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.95 22.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 73.8 m-85 -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.948 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t -116.54 127.4 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -125.36 172.91 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' ARG . 29.2 p -83.48 174.28 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.5 ttp -57.73 -14.64 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.14 -37.92 13.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -111.92 20.53 16.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' CYS . 3.8 ptm180 -71.4 -31.1 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 11.6 mt -67.32 153.28 95.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.495 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.75 -49.24 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -57.66 -28.32 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 15.8 mm-40 -64.04 -42.44 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.8 p-80 -111.5 35.44 3.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' HIS . 23.5 t0 34.43 44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' ASP . 33.6 t -34.35 143.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -90.3 -29.64 17.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 t -42.69 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -103.29 -5.21 23.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -115.87 -41.98 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.45 -7.17 15.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 53.41 32.75 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -88.72 130.96 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.33 144.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.38 118.1 26.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -49.68 150.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.2 -43.42 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.74 -40.43 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' GLU . 6.9 mm100 -57.49 -60.02 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.4 mt-30 -35.1 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 29' ' ' GLN . 29.4 mt-10 -81.91 -54.74 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 32' ' ' LEU . 10.1 mp -60.14 -63.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -46.49 -39.26 10.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.45 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.2 p -35.66 151.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.68 178.58 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -86.54 -36.58 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 p -51.08 -42.08 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.16 24.7 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.05 150.04 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.922 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t -111.31 128.87 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -125.08 176.51 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -84.84 -178.35 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 ttp -68.46 -2.13 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.63 -24.24 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -124.36 18.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -72.6 -27.04 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.38 151.33 94.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -63.72 -17.56 63.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -77.3 -39.11 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.8 p-80 -114.49 32.82 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' HIS . 51.3 m-20 35.85 46.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 16.8 t -37.74 143.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -89.05 -26.23 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 t -46.29 166.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -106.43 -5.59 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -111.87 -39.96 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -115.92 -11.32 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 56.53 43.62 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -92.85 143.11 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -55.06 128.05 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.37 125.92 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' GLN . 49.9 mt-10 -67.66 146.24 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -35.2 -41.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.15 -44.15 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.0 mm100 -60.99 -62.07 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' GLN . 73.1 mt-30 -34.28 -34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' GLN . 6.0 mm-40 -77.59 -53.65 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.52 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.81 -37.46 1.34 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 p -41.06 154.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.32 178.46 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -88.2 -35.9 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.34 23.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.59 150.44 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 0.0 110.916 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.85 129.46 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.09 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 30.0 p -88.24 174.39 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.3 ttp -58.23 -13.82 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -93.08 -37.42 12.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -112.87 22.84 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.6 ptm180 -75.89 -31.23 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.69 151.59 96.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.74 -45.19 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 2.24 . . . . 0.0 112.404 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -61.98 -22.78 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -71.69 -40.42 69.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.6 p-80 -112.73 33.53 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' HIS . 19.8 t70 34.66 46.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.9 t -37.87 138.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -81.94 -29.59 32.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 t -51.07 165.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.95 -3.02 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.497 ' OE1' ' CD2' ' A' ' 45' ' ' HIS . 5.4 tt0 -114.2 -40.21 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -118.19 -9.36 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 54.12 52.95 11.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.9 t -99.47 142.54 30.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -56.63 121.09 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -104.21 125.99 50.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.43 168.58 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.39 -40.12 61.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.08 -40.02 57.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.6 mm100 -62.75 -63.01 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' GLN . 32.3 mt-30 -33.71 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 45.4 mm-40 -80.85 -53.28 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.55 -61.72 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.59 -42.63 10.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.4 p -34.85 151.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.71 -178.97 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -88.58 -37.57 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.66 -42.38 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.67 21.13 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -132.46 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.01 126.64 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.3 m-85 -121.64 178.61 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.7 p -89.0 -179.99 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -64.93 -7.29 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.08 -32.8 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.497 ' CD2' ' OE1' ' A' ' 20' ' ' GLN . 35.7 m80 -116.23 22.59 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -75.26 -34.48 61.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.91 151.48 85.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.8 Cg_endo -69.71 -48.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -57.88 -26.74 62.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -66.48 -41.66 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.467 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.9 p-80 -113.08 34.07 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' HIS . 39.0 m-20 34.15 45.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.2 t -36.01 142.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 55' ' ' PHE . 8.1 t -87.95 -27.67 21.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.408 ' N ' HG23 ' A' ' 54' ' ' THR . 4.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.875 0.369 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 t -52.28 165.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.67 -4.04 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -114.82 -41.1 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -113.98 -9.43 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 55.0 37.68 29.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 t -86.55 146.69 26.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -57.99 127.63 33.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' CD1' HG12 ' A' ' 40' ' ' VAL . 13.2 mt -109.2 125.05 51.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLN . 1.9 mp0 -66.63 155.8 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.58 -39.48 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 p -76.63 -23.66 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.3 mm100 -78.76 -63.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 29' ' ' GLN . 74.9 mt-30 -33.27 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 39.7 mm-40 -77.83 -53.26 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' GLN . 6.5 mp -62.05 -65.79 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.48 -40.42 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.4 p -36.4 153.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 t -130.05 177.33 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -85.88 -33.7 21.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -51.04 -43.45 60.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.64 23.1 0.91 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 61.2 m-85 -136.19 149.86 48.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 25' ' ' LEU . 77.1 t -112.03 131.01 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.34 -178.84 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.81 -178.35 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -68.69 -0.99 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -106.03 -31.11 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -119.35 21.89 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.68 -34.96 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -62.44 152.38 80.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.571 0.7 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.512 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.75 -47.61 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.97 -26.24 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -68.22 -41.07 81.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.0 p-80 -112.84 33.4 5.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 45.0 m-20 34.19 45.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 15.8 t -36.34 143.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -92.21 -29.91 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 t -52.64 165.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.03 -3.45 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.02 -42.88 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.79 -10.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 53.67 41.55 32.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.69 146.18 24.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -58.38 122.25 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 mt -103.12 118.66 37.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -61.69 157.34 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -41.06 -47.32 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.64 -41.91 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 30' ' ' GLN . 13.9 mm100 -58.97 -63.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.5 mt-30 -33.9 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.53 -49.38 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.36 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.63 -41.11 6.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.19 150.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.876 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.24 179.96 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -88.12 -37.33 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -49.43 -44.45 45.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.41 25.86 0.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.8 m-85 -138.74 147.4 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.963 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.2 t -107.49 131.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 4.7 m-85 -125.06 176.04 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.7 p -83.91 -180.0 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.5 ttp -66.33 -8.16 23.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.76 -25.71 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.77 20.14 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -72.72 -30.58 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.66 153.64 95.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.75 -50.33 0.48 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -55.09 -28.26 51.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -64.8 -43.37 93.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.5 p-80 -112.02 35.75 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' HIS . 9.3 t0 32.95 45.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.9 t -36.77 140.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.34 -30.36 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 t -47.54 165.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -104.42 -5.51 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -115.97 -38.33 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.45 -5.94 12.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 47.61 50.26 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 t -99.11 146.62 25.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -56.35 128.15 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.03 118.06 35.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' LEU . 3.3 mm-40 -59.32 151.42 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -33.55 -56.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.93 -46.54 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' GLN . 12.2 mm100 -50.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' GLN . 65.9 mt-30 -34.47 -37.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' GLN . 13.3 mm-40 -78.76 -50.3 11.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.64 -62.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.71 -41.11 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.7 p -36.23 148.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.834 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.6 179.97 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -88.62 -36.69 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -50.81 -42.91 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.12 24.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.615 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.9 m-85 -136.49 149.93 48.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.41 128.55 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -124.67 175.45 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ARG . 26.7 p -83.31 178.27 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.4 ttp -64.49 -9.14 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -100.81 -24.88 14.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -121.27 16.66 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.0 ptm180 -70.67 -33.5 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.29 152.63 88.09 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.642 0.734 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.2 Cg_endo -69.76 -49.79 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.31 -30.07 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -62.45 -43.07 99.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.0 p-80 -111.48 34.63 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 7.1 m-20 34.04 45.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.2 t -37.0 141.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -86.01 -27.02 25.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' C ' HD12 ' A' ' 25' ' ' LEU . 23.9 mtp180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.86 0.362 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 t -48.6 165.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 13.3 t80 -105.29 2.3 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -124.28 -42.28 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.25 -10.98 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 55.07 43.24 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -90.53 154.44 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -63.22 126.69 28.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 17' ' ' ARG . 16.9 mt -109.37 118.24 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.46 151.89 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -38.38 -43.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.62 -46.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' GLN . 11.6 mm100 -56.64 -62.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 72.9 mt-30 -33.36 -37.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 7.0 mm-40 -78.83 -53.11 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.59 -62.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.92 -42.18 2.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 4.7 p -35.16 152.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 t -126.36 178.07 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.91 -37.53 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -51.85 -42.98 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 25.17 0.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 19' ' ' PHE . 53.6 m-85 -135.63 158.74 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -120.14 128.42 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -128.78 153.79 47.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 p -54.99 -176.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.5 ttp -74.99 -0.67 19.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -104.66 -33.17 8.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -105.17 -10.58 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -42.35 -39.14 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 8.4 mt -56.05 152.78 20.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.711 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.434 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.69 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.27 -27.55 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.46 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 28.8 mm-40 -64.51 -44.23 91.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' ASP . 33.3 p-80 -110.48 34.57 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' HIS . 4.1 t70 34.25 44.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -36.38 141.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -89.46 -29.36 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' CYS . 34.4 mtm180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ARG . 19.9 t -41.59 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -102.87 -4.01 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.514 HE21 ' CD2' ' A' ' 45' ' ' HIS . 3.1 tt0 -116.8 -40.18 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.85 -11.77 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 55.91 44.27 26.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -96.67 142.97 28.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 131.27 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.02 129.18 56.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.35 156.69 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.17 -43.31 2.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -66.31 -39.78 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.73 -65.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.0 mt-30 -33.95 -41.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.75 -47.05 41.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 32' ' ' LEU . 11.1 mp -71.08 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.38 -38.8 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 6.4 p -36.64 151.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.57 178.82 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -87.13 -36.6 17.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -51.17 -42.49 60.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.86 25.47 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.743 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 51.3 m-85 -135.54 151.14 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t -114.47 126.45 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.1 m-85 -122.05 178.61 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.3 179.64 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.9 ttp -64.87 -7.75 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.48 -31.95 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.514 ' CD2' HE21 ' A' ' 20' ' ' GLN . 36.1 m80 -118.72 22.35 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -28.03 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.44 155.93 91.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.78 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 5.2 pm0 -57.75 -27.16 62.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.486 ' NE2' ' HG2' ' A' ' 49' ' ' GLU . 1.2 mp0 -64.86 -41.25 95.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.8 p-80 -113.31 35.16 4.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.3 m-20 34.71 43.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.5 t -34.54 143.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 55' ' ' PHE . 8.7 t -90.33 -29.13 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.42 ' N ' HG23 ' A' ' 54' ' ' THR . 2.9 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.1 t -48.18 165.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.58 -3.2 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -119.37 -41.66 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.14 -4.66 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 46.65 40.43 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -84.3 153.1 23.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 125.62 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mt -111.87 121.76 45.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 12.4 mt-10 -68.03 155.65 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 27' ' ' LEU . 3.9 mm? -41.8 -38.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.11 -39.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.1 mm100 -67.99 -63.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 42.3 mt-30 -31.1 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.8 mm-40 -73.82 -54.88 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.4 mp -64.85 -65.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.98 -41.82 1.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.9 p -38.91 151.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -124.9 179.08 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -88.31 -33.93 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 p -52.73 -44.09 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.96 25.32 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -138.07 150.89 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.7 127.23 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.11 174.56 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -82.96 177.0 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.55 -6.86 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.9 mt -102.95 -24.51 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -122.2 16.53 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -71.39 -35.07 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.98 151.98 84.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.497 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.74 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.4 -26.14 39.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.09 -42.57 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.6 p-80 -111.44 33.63 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' HIS . 10.6 m-20 34.67 47.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.1 t -37.79 140.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -88.6 -20.23 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 t -43.89 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.89 -4.42 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.29 -41.4 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLN . 24.5 p -113.18 0.65 14.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 13.8 mp0 38.13 50.39 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -95.55 144.48 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 123.93 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.83 121.82 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' GLN . 7.2 mm-40 -63.04 154.64 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.41 -38.22 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.5 p -76.56 -26.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.0 mm100 -74.36 -62.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' GLN . 68.0 mt-30 -34.22 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.4 mt-10 -78.67 -52.08 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.7 mp -64.11 -64.88 0.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.5 -39.69 4.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.9 p -34.74 151.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 -179.76 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -91.12 -35.82 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.7 p -52.15 -40.03 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.69 22.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 64.0 m-85 -134.51 151.41 51.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -113.91 124.41 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 4.1 m-85 -117.83 178.72 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.72 -177.56 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.0 ttp -68.49 -4.1 13.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -106.12 -24.97 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -120.71 12.24 11.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -63.45 -34.48 77.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.12 152.02 94.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.71 -50.9 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -54.29 -28.18 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.58 -44.43 86.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 23.8 p-80 -109.79 34.87 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 2.7 m-20 33.82 46.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.6 t -36.9 142.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.51 -27.87 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 t -48.1 163.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -104.36 -2.85 24.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -114.22 -43.22 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.94 -12.87 14.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 59.19 42.22 18.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -91.25 143.03 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -58.69 119.66 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mt -104.12 128.69 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' LEU . 5.2 mm-40 -83.27 160.35 21.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' GLU . 4.4 mm? -35.43 -38.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.52 -64.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLY . 28.1 mm100 -58.03 -58.52 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 25' ' ' LEU . 81.4 mt-30 -31.66 -41.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.4 mm-40 -89.11 -46.0 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.38 -60.69 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' GLN . . . -50.31 -36.98 30.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLY . 31.0 p -37.57 154.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.91 178.23 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -88.95 -35.51 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.89 -41.23 45.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.8 21.64 1.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 69.8 m-85 -135.71 147.87 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.2 t -108.8 128.14 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.76 173.89 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.2 p -84.21 174.42 10.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ttp -59.17 -13.88 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.59 -38.14 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -111.36 22.32 15.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' CYS . 5.0 ptm180 -73.7 -31.34 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.31 152.81 93.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.79 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.63 2.22 . . . . 0.0 112.3 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.22 -27.36 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.01 -42.92 89.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.5 p-80 -111.26 33.42 4.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' HIS . 33.5 t70 34.71 47.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.5 t -39.37 141.11 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 t -87.52 -24.35 24.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 18' ' ' CYS . 46.2 mtm180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' ARG . 16.3 t -41.7 164.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -103.42 -4.49 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -114.96 -43.34 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.0 -9.56 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 56.36 38.4 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -94.29 135.12 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.58 143.81 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' CD1' HG13 ' A' ' 40' ' ' VAL . 18.3 mt -121.8 119.42 31.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' LEU . 70.0 mm-40 -57.41 149.79 19.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -36.67 -50.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.47 -44.56 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' GLN . 13.8 mm100 -54.94 -64.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 63.6 mt-30 -32.44 -38.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.7 mt-10 -75.28 -52.26 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.0 mp -65.67 -61.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.34 -41.24 6.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.2 p -37.13 150.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.833 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.86 -177.44 3.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -90.5 -36.94 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -51.59 -43.98 62.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.94 27.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.5 m-85 -137.96 150.04 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 25' ' ' LEU . 89.1 t -110.72 129.02 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 5.0 m-85 -124.58 175.1 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.5 -179.56 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ttp -66.38 -8.6 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -101.95 -27.42 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -117.03 17.17 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -70.87 -34.84 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.85 152.16 91.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.71 -50.66 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.58 -28.55 46.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.0 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.5 p-80 -111.96 35.52 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t0 33.41 46.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 28.6 t -37.57 141.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -85.13 -31.59 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.903 0.382 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.2 t -46.85 164.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.19 -3.27 27.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -118.29 -42.7 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.1 -3.18 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 46.37 40.94 8.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 t -89.63 147.64 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -62.98 124.37 20.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 mt -104.68 126.14 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.26 150.68 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 27' ' ' LEU . 3.9 mm? -40.14 -38.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.9 p -76.78 -47.47 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 30' ' ' GLN . 4.0 tm0? -55.75 -56.26 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.2 mt-30 -32.74 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 12.2 mt-10 -82.38 -54.95 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -50.99 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.08 -39.83 5.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.2 p -33.8 145.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.903 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -124.23 173.41 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -78.66 -37.33 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 p -49.06 -43.69 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.75 24.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 48.9 m-85 -135.38 150.29 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.957 0.408 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.85 128.04 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -121.61 178.41 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.7 p -85.75 166.95 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.8 ttp -54.45 -14.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.37 -32.64 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -113.22 14.24 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' CYS . 4.0 ptm180 -63.61 -34.71 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.9 mt -63.69 152.25 86.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.552 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.79 -48.54 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -57.37 -26.64 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.406 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 44.6 mm-40 -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 22.8 p-80 -112.83 35.75 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.2 m-20 34.13 45.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASP . 34.7 t -35.77 141.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 t -88.7 -31.74 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.4 t -44.1 165.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.42 -3.88 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -119.82 -41.39 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.06 -8.39 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 50.57 46.18 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.1 t -94.77 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.69 127.04 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -110.16 120.4 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLN . 27.3 mt-10 -53.04 145.25 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -36.7 -41.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.3 p -74.76 -38.72 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' GLU . 9.1 mm100 -57.8 -60.29 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.2 mt-30 -33.93 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' GLN . 5.8 mm-40 -78.74 -51.31 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 29' ' ' GLN . 5.7 mp -63.72 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.04 -39.43 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.456 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 14.4 p -36.61 151.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.869 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.59 179.08 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.6 p -49.05 -44.53 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.09 25.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.6 m-85 -136.6 150.78 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.926 0.393 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.5 t -109.88 127.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.74 172.86 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.5 p -81.44 178.52 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 ttp -65.15 -6.86 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -101.76 -28.1 12.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -117.71 16.29 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.19 -32.83 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.82 151.9 94.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.7 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.89 -25.45 57.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.4 -42.26 79.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' C ' ' A' ' 52' ' ' ASP . 29.6 p-80 -112.63 34.85 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.2 m-20 33.53 45.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.3 t -35.93 136.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -82.68 -31.23 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 t -42.68 166.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -102.82 -5.73 23.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -115.78 -42.73 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -110.89 -7.36 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 49.87 45.8 24.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -93.09 146.61 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -55.87 118.42 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mt -104.13 117.12 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 9.0 pt-20 -61.03 156.87 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.36 -45.89 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 35.4 m -64.13 -34.3 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' GLU . 26.0 mm100 -71.67 -64.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' GLN . 37.4 mt-30 -33.39 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.5 mm-40 -85.87 -52.59 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.67 -63.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.75 -38.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.8 p -37.27 149.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.14 -179.25 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -88.16 -37.71 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.99 -44.53 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.26 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.1 m-85 -138.25 155.01 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -113.54 130.72 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 7.6 m-85 -125.52 175.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -82.19 -177.45 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.495 ' O ' ' CE ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -67.23 -9.79 44.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -102.18 -23.19 14.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -120.06 14.75 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.98 -34.78 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.42 152.25 94.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.732 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.49 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.8 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.66 -30.79 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -62.02 -46.68 88.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.49 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.5 p-80 -107.85 35.39 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' HIS . 5.1 t70 33.55 45.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 24.2 t -36.43 141.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.2 t -85.25 -31.53 23.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 t -42.82 166.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -100.58 -2.83 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -120.06 -41.75 2.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -112.04 -7.31 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 49.93 41.87 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -88.67 140.74 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -52.29 125.44 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.93 130.1 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -70.54 154.29 42.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -39.01 -40.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.97 -46.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' GLU . 3.8 mm-40 -57.93 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.5 mt-30 -34.6 -32.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' GLN . 69.8 mm-40 -89.39 -47.43 8.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.79 -66.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.87 -33.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.4 p -42.27 151.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.53 179.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -90.07 -36.61 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -49.54 -44.95 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.0 27.38 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 70.7 m-85 -141.34 148.26 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.93 131.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -126.95 177.63 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.71 -178.39 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.17 -6.06 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.7 mt -102.74 -26.53 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -120.7 16.57 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.58 -30.73 67.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.09 151.26 97.24 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.72 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -58.29 -24.18 58.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 52' ' ' ASP . 31.8 p-80 -110.34 33.93 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' HIS . 11.8 m-20 34.45 46.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 t -38.22 140.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -84.12 -29.29 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.8 t -55.18 165.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.08 -0.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -121.35 -42.29 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.84 -6.86 13.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 50.36 43.86 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.29 141.45 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -53.07 121.36 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.1 mt -102.97 116.84 33.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' GLN . 16.9 mp0 -60.91 154.71 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -39.56 -52.98 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 29' ' ' GLN . 6.7 p -63.0 -33.28 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLU . 13.0 mm100 -68.74 -65.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' GLN . 61.9 mt-30 -31.74 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLN . 37.6 mt-10 -75.56 -54.33 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.8 mp -63.41 -64.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . -37.3 -38.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.5 p -38.0 156.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 0.0 110.828 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -132.29 179.5 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -86.84 -37.66 17.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 p -53.22 -43.1 66.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.66 26.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 59.6 m-85 -137.51 156.06 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.897 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t -119.53 124.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -122.55 153.97 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 23.7 p -54.5 -176.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 ttp -73.7 -1.39 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -103.76 -33.86 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -104.91 -12.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -39.66 -36.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.1 mt -58.88 153.0 45.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.71 -48.72 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -58.98 -27.93 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.412 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 26.1 mm-40 -63.83 -43.11 97.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.9 p-80 -111.29 34.63 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 5.1 t70 34.39 43.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 12.2 t -34.39 142.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -92.26 -31.09 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -123.38 96.31 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 m -107.53 171.64 7.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.1 92.13 0.85 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -64.98 85.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -134.52 162.82 31.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.93 -117.02 4.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 p -142.84 142.67 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -122.25 86.79 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -117.11 178.06 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.68 -30.22 5.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.487 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 4.2 tp-100 -79.64 77.66 6.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.17 -44.97 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -133.7 94.98 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -41.07 -35.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 17.8 ttp180 -40.06 -39.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 25' ' ' LEU . 38.4 mtt85 -107.84 151.02 26.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 t -45.36 165.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.79 -2.34 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -117.71 -43.72 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.51 -11.85 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 55.33 39.94 31.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 t -86.44 161.6 18.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -72.72 128.08 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 17' ' ' ARG . 10.0 mt -112.87 121.13 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -66.05 167.87 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.85 -40.37 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -71.01 -49.22 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' GLN . 2.3 mm-40 -54.67 -62.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.457 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 72.3 mt-30 -35.15 -35.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLN . 24.0 mm-40 -82.23 -50.8 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.22 -61.73 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.0 -43.76 8.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.22 150.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.05 -179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -88.85 -36.17 16.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 p -51.23 -43.6 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.03 23.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.4 m-85 -136.71 149.08 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -111.37 131.4 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.2 m-85 -124.91 -179.89 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' ARG . 27.3 p -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.1 ttp -64.94 -8.32 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.37 -28.78 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -117.1 15.19 15.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' CYS . 10.1 ptt180 -67.62 -35.97 79.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.5 mt -62.53 152.63 80.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.82 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -54.75 -29.6 54.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 16.3 mm-40 -63.47 -43.26 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.508 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 24.8 p-80 -111.23 35.26 3.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.4 m-20 33.65 46.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ASP . 26.5 t -36.5 139.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -83.64 -31.6 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -56.81 164.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -122.73 101.22 7.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -61.7 -37.58 84.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.6 mtt -75.37 84.63 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.16 -128.68 3.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 42.54 41.57 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.84 170.98 14.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t -140.68 152.91 45.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.28 -179.51 30.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 134.99 29.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -104.76 -48.08 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.7 t -57.3 129.69 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.471 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -167.44 121.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -159.97 132.92 6.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.0 151.13 21.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -99.77 143.39 30.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -115.31 85.72 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.19 54.73 4.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.0 p -148.81 105.57 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -94.67 107.85 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -128.16 46.1 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -45.86 -39.26 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 15' ' ' ARG . 4.2 tp-100 -86.07 78.17 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -42.12 78.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 m -133.67 99.8 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 26.9 mtt85 -40.13 -41.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 17.2 ttt180 -37.92 -41.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -100.21 156.79 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.99 164.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.28 -2.78 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -116.0 -40.89 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -113.83 -11.4 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 56.58 44.25 24.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 6.3 t -92.15 144.65 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -61.39 120.25 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.98 132.87 47.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.56 159.18 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD11 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -38.01 -54.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.7 m -58.94 -48.14 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 30' ' ' GLN . 25.6 mm100 -53.97 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 71.5 mt-30 -33.51 -38.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' GLN . 34.4 mm-40 -83.11 -47.62 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.0 mp -65.8 -66.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.4 -38.85 5.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.6 p -35.29 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.5 179.45 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -88.07 -37.2 16.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 p -50.79 -42.49 58.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.23 25.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.4 m-85 -136.55 151.14 49.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -113.13 129.55 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.722 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -123.6 175.15 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.4 p -83.82 177.54 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -63.56 -9.31 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.02 -27.93 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.0 16.82 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -66.98 -34.99 78.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.27 154.05 64.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.493 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.77 -51.0 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.383 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -58.4 -27.05 63.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.26 -41.54 99.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.5 p-80 -112.11 36.91 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' CYS . 22.6 t0 35.74 42.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ASP . 30.5 t -35.63 141.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 55' ' ' PHE . 14.0 t -88.41 -32.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 54' ' ' THR . 4.8 t80 -54.59 171.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.22 89.34 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' NE2' ' HB3' ' A' ' 48' ' ' PRO . 95.7 m-70 -70.48 169.44 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttt -67.47 84.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -163.8 -82.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -75.14 108.07 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.83 -86.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -94.95 -53.61 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.32 147.59 35.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 4.22 2.32 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.2 m -94.43 142.47 27.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -146.75 154.05 40.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.497 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -63.17 85.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -57.96 106.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.44 85.69 0.73 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -89.21 -52.53 5.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -170.53 136.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.48 43.62 0.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.9 p -102.47 144.94 30.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -113.45 82.55 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.8 m -163.76 121.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -54.5 -38.99 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 13' ' ' LYS . 2.3 tp-100 -56.03 109.63 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.8 -50.4 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.7 m -165.14 125.8 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.48 -41.54 20.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 9.8 ttm180 -41.16 -28.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' CA ' HD11 ' A' ' 25' ' ' LEU . 55.5 mtt180 -127.85 161.48 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 22' ' ' GLN . 16.3 t -51.42 166.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.63 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.98 -6.77 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -117.59 -40.41 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -110.94 0.28 17.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.59 ' NE2' ' N ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 39.46 46.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 t -89.84 155.46 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -64.39 116.8 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.418 HD11 ' CA ' ' A' ' 17' ' ' ARG . 11.9 mt -102.81 133.88 47.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -76.96 155.47 32.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 27' ' ' LEU . 3.6 mm? -46.19 -39.2 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.7 p -75.63 -26.85 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 tm0? -78.45 -64.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLN . 76.1 mt-30 -33.26 -37.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 48.5 mm-40 -76.89 -51.03 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.5 mp -64.96 -62.38 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.99 -34.7 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -39.26 148.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -120.63 178.75 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -87.03 -36.99 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 p -49.98 -42.69 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.95 22.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 73.8 m-85 -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.948 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t -116.54 127.4 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -125.36 172.91 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' ARG . 29.2 p -83.48 174.28 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.5 ttp -57.73 -14.64 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.14 -37.92 13.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -111.92 20.53 16.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' CYS . 3.8 ptm180 -71.4 -31.1 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 11.6 mt -67.32 153.28 95.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.495 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.75 -49.24 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -57.66 -28.32 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 15.8 mm-40 -64.04 -42.44 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.8 p-80 -111.5 35.44 3.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' HIS . 23.5 t0 34.43 44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' ASP . 33.6 t -34.35 143.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -90.3 -29.64 17.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.73 172.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.79 78.44 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -117.23 172.58 7.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.6 mtt -129.92 110.43 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.94 -47.34 7.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -112.67 137.19 51.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.32 160.97 3.31 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.1 t -83.18 82.15 8.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.06 -178.29 18.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.91 12.95 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.4 m -55.08 139.92 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 t -113.96 93.89 4.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -87.52 50.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -83.82 114.78 21.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.67 130.2 9.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 m -53.24 162.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -113.37 90.3 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.75 -162.03 24.9 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m -88.91 95.18 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -90.82 53.53 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 p -98.55 126.6 44.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 35.9 tttp -82.95 -27.08 30.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 5.0 tp-100 -78.73 71.03 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -56.82 -54.85 41.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 t -137.69 116.99 12.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.3 mtm-85 -48.23 -41.53 27.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -44.87 -38.04 4.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -104.22 141.55 36.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 t -42.69 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -103.29 -5.21 23.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -115.87 -41.98 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.45 -7.17 15.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 53.41 32.75 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -88.72 130.96 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.33 144.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.38 118.1 26.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -49.68 150.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.2 -43.42 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.74 -40.43 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' GLU . 6.9 mm100 -57.49 -60.02 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.4 mt-30 -35.1 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 29' ' ' GLN . 29.4 mt-10 -81.91 -54.74 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 32' ' ' LEU . 10.1 mp -60.14 -63.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -46.49 -39.26 10.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.45 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.2 p -35.66 151.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.68 178.58 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -86.54 -36.58 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 p -51.08 -42.08 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.16 24.7 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.05 150.04 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.922 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.7 t -111.31 128.87 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -125.08 176.51 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -84.84 -178.35 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 ttp -68.46 -2.13 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.63 -24.24 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -124.36 18.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -72.6 -27.04 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.38 151.33 94.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.442 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB3' ' C ' ' A' ' 67' ' ' GLY . 16.4 pm0 -63.72 -17.56 63.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -77.3 -39.11 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.8 p-80 -114.49 32.82 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' HIS . 51.3 m-20 35.85 46.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 16.8 t -37.74 143.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -89.05 -26.23 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -61.35 166.14 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -131.49 86.64 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -42.18 134.34 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tpt -76.65 88.83 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.94 170.39 35.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -92.12 105.97 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.14 -128.19 6.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 t 47.78 40.95 13.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.11 -71.66 1.31 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 5.11 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 p 74.63 39.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.814 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.0 p -122.19 142.35 50.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' C ' ' HB3' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -154.25 176.04 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -137.62 151.81 48.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.64 -57.42 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -46.0 136.51 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -167.44 150.38 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.75 -121.28 1.07 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -44.43 104.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -84.53 88.39 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -104.96 161.93 13.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -99.08 -32.3 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.473 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.4 tp-100 -73.62 81.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -76.66 -52.84 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -130.33 104.47 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -46.53 -35.59 5.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -46.39 -36.99 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -107.42 149.0 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 t -46.29 166.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.623 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -106.43 -5.59 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -111.87 -39.96 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -115.92 -11.32 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 56.53 43.62 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -92.85 143.11 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -55.06 128.05 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.37 125.92 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' GLN . 49.9 mt-10 -67.66 146.24 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -35.2 -41.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -70.15 -44.15 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.0 mm100 -60.99 -62.07 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' GLN . 73.1 mt-30 -34.28 -34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' GLN . 6.0 mm-40 -77.59 -53.65 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.52 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.81 -37.46 1.34 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 p -41.06 154.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.32 178.46 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -88.2 -35.9 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.34 23.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.59 150.44 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 0.0 110.916 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.85 129.46 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.09 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 30.0 p -88.24 174.39 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.3 ttp -58.23 -13.82 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -93.08 -37.42 12.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -112.87 22.84 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.6 ptm180 -75.89 -31.23 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.69 151.59 96.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.74 -45.19 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 2.24 . . . . 0.0 112.404 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -61.98 -22.78 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -71.69 -40.42 69.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.6 p-80 -112.73 33.53 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' HIS . 19.8 t70 34.66 46.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.9 t -37.87 138.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -81.94 -29.59 32.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -58.29 160.19 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -121.83 81.75 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -45.47 133.65 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 ttt -76.99 100.59 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.85 -167.48 38.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -100.62 -59.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.39 98.06 1.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.5 m -56.51 -48.93 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.55 110.48 0.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.9 24.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.303 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 t -120.27 87.66 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -131.01 -44.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.448 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 p -146.35 136.53 23.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -154.79 140.85 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.85 142.97 11.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -91.87 153.47 19.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 t -79.56 94.62 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.02 -63.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 m 49.14 44.93 23.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.819 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -93.51 48.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -147.1 135.56 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.69 -52.77 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 15' ' ' ARG . 13.4 tt0 -67.37 83.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -53.78 -42.06 67.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -149.36 115.54 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 21.6 mtt85 -39.48 -37.42 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -39.92 -42.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -105.05 151.35 24.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 t -51.07 165.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.95 -3.02 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.497 ' OE1' ' CD2' ' A' ' 45' ' ' HIS . 5.4 tt0 -114.2 -40.21 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -118.19 -9.36 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 54.12 52.95 11.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.9 t -99.47 142.54 30.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -56.63 121.09 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -104.21 125.99 50.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.43 168.58 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.39 -40.12 61.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.08 -40.02 57.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.6 mm100 -62.75 -63.01 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' GLN . 32.3 mt-30 -33.71 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 45.4 mm-40 -80.85 -53.28 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.55 -61.72 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.59 -42.63 10.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.4 p -34.85 151.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.71 -178.97 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -88.58 -37.57 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.66 -42.38 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.67 21.13 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -132.46 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.01 126.64 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.3 m-85 -121.64 178.61 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.7 p -89.0 -179.99 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -64.93 -7.29 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.08 -32.8 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.497 ' CD2' ' OE1' ' A' ' 20' ' ' GLN . 35.7 m80 -116.23 22.59 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -75.26 -34.48 61.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.91 151.48 85.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.8 Cg_endo -69.71 -48.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -57.88 -26.74 62.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -66.48 -41.66 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.9 p-80 -113.08 34.07 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' HIS . 39.0 m-20 34.15 45.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.2 t -36.01 142.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 55' ' ' PHE . 8.1 t -87.95 -27.67 21.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' N ' HG23 ' A' ' 54' ' ' THR . 4.2 t80 -63.57 165.32 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.37 116.6 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.57 41.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 tpp -94.35 -59.7 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.75 -54.21 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -165.44 106.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.05 -104.11 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.2 p -124.7 177.19 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.93 -93.04 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.41 10.08 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.9 p -107.07 42.29 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t 63.37 42.22 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.516 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 p 40.24 42.15 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -95.05 -43.9 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.3 -121.17 6.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -73.56 151.59 40.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 m -122.18 -58.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.7 -146.18 16.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -63.17 107.12 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.836 0.35 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -78.81 124.17 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.8 p -127.52 165.35 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 6.4 tptp -78.84 -64.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 15' ' ' ARG . 8.2 tt0 -52.52 97.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -12.84 53.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -168.52 112.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 23.6 mtt85 -46.16 -33.93 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 13.9 ttp180 -44.08 -38.36 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -110.85 153.58 25.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 t -52.28 165.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.67 -4.04 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -114.82 -41.1 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -113.98 -9.43 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' NE2' ' HE3' ' A' ' 11' ' ' LYS . 50.7 mm-40 55.0 37.68 29.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 t -86.55 146.69 26.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -57.99 127.63 33.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' CD1' HG12 ' A' ' 40' ' ' VAL . 13.2 mt -109.2 125.05 51.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLN . 1.9 mp0 -66.63 155.8 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.58 -39.48 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 p -76.63 -23.66 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.3 mm100 -78.76 -63.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 74.9 mt-30 -33.27 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 39.7 mm-40 -77.83 -53.26 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' GLN . 6.5 mp -62.05 -65.79 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.48 -40.42 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.4 p -36.4 153.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 t -130.05 177.33 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 57' ' ' HIS . 15.9 mtm180 -85.88 -33.7 21.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -51.04 -43.45 60.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.64 23.1 0.91 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 61.2 m-85 -136.19 149.86 48.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 25' ' ' LEU . 77.1 t -112.03 131.01 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.34 -178.84 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.81 -178.35 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -68.69 -0.99 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -106.03 -31.11 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -119.35 21.89 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.68 -34.96 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -62.44 152.38 80.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.571 0.7 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.512 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.75 -47.61 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.97 -26.24 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -68.22 -41.07 81.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.0 p-80 -112.84 33.4 5.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 45.0 m-20 34.19 45.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 15.8 t -36.34 143.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -92.21 -29.91 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.02 179.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -133.93 83.89 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -105.79 -35.53 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.5 ttt -48.32 -52.59 20.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 43.8 74.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 130.43 47.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -166.84 -159.64 12.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.1 p -73.71 152.69 40.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.97 -100.06 1.92 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -14.42 36.04 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.639 2.226 . . . . 0.0 112.368 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 p -110.29 95.28 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t 66.37 43.05 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.473 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -122.29 119.52 31.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -84.05 42.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.83 97.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -67.14 107.47 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -166.47 162.05 16.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.1 128.83 5.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -119.75 98.2 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 10' ' ' SER . 7.8 ptm180 -128.95 -52.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 5.6 m -114.85 159.08 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -43.61 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.07 118.56 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -91.7 -33.95 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 m -158.86 113.79 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -42.83 -44.53 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -39.12 -37.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -108.9 155.07 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 t -52.64 165.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.03 -3.45 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.02 -42.88 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.79 -10.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 53.67 41.55 32.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.69 146.18 24.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -58.38 122.25 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 mt -103.12 118.66 37.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -61.69 157.34 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -41.06 -47.32 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.64 -41.91 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 30' ' ' GLN . 13.9 mm100 -58.97 -63.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.5 mt-30 -33.9 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.53 -49.38 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.36 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.63 -41.11 6.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.19 150.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.876 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.24 179.96 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -88.12 -37.33 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -49.43 -44.45 45.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.41 25.86 0.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.8 m-85 -138.74 147.4 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.963 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.2 t -107.49 131.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 4.7 m-85 -125.06 176.04 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.7 p -83.91 -180.0 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.5 ttp -66.33 -8.16 23.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.76 -25.71 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.77 20.14 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -72.72 -30.58 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.66 153.64 95.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.75 -50.33 0.48 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -55.09 -28.26 51.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -64.8 -43.37 93.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.5 p-80 -112.02 35.75 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' HIS . 9.3 t0 32.95 45.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.9 t -36.77 140.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.34 -30.36 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -57.8 163.17 2.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.8 83.58 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -42.22 -37.52 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.7 mtt -91.87 -49.56 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.63 126.26 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -151.38 144.23 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.33 83.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.2 t -114.73 -56.74 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.25 -93.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.558 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.4 12.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t 55.97 41.85 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.1 t -76.68 -47.13 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.53 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -44.99 -60.35 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -96.9 143.35 27.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.91 173.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -140.38 135.42 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 m -73.78 -55.87 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.8 153.86 36.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.3 m -155.28 125.04 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -102.1 85.82 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 m -130.3 51.52 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -29.0 58.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.461 ' NE2' ' HB2' ' A' ' 19' ' ' PHE . 4.0 tp-100 -87.28 51.09 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -54.34 -39.74 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 m -134.1 106.73 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -57.13 -39.23 74.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -41.89 -36.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -106.9 151.81 24.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 t -47.54 165.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -104.42 -5.51 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -115.97 -38.33 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.45 -5.94 12.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 47.61 50.26 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 t -99.11 146.62 25.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -56.35 128.15 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.03 118.06 35.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' LEU . 3.3 mm-40 -59.32 151.42 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -33.55 -56.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.93 -46.54 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' GLN . 12.2 mm100 -50.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' GLN . 65.9 mt-30 -34.47 -37.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' GLN . 13.3 mm-40 -78.76 -50.3 11.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.64 -62.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.71 -41.11 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.7 p -36.23 148.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.834 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.6 179.97 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -88.62 -36.69 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -50.81 -42.91 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.12 24.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.615 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.9 m-85 -136.49 149.93 48.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.41 128.55 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -124.67 175.45 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ARG . 26.7 p -83.31 178.27 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.4 ttp -64.49 -9.14 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -100.81 -24.88 14.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -121.27 16.66 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.0 ptm180 -70.67 -33.5 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.29 152.63 88.09 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.642 0.734 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.2 Cg_endo -69.76 -49.79 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.31 -30.07 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -62.45 -43.07 99.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.0 p-80 -111.48 34.63 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 7.1 m-20 34.04 45.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.2 t -37.0 141.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -86.01 -27.02 25.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -61.2 171.75 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -131.62 79.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -40.04 131.63 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 tpp -44.99 145.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.2 108.45 3.24 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -57.3 -35.89 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 60' ' ' ARG . . . -82.99 153.29 30.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.5 m -124.64 149.28 47.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.97 -120.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.95 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.8 p -80.34 -44.11 20.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.0 p -125.15 123.95 40.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.53 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -111.5 119.55 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -107.76 173.0 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.76 50.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -64.08 98.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 t -124.92 103.42 8.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.11 73.47 0.87 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -113.69 140.88 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 72.76 41.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 m -95.01 106.56 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 5.9 tppt? -106.57 -24.84 12.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.462 ' NE2' ' HB2' ' A' ' 19' ' ' PHE . 4.0 tp60 -75.82 128.24 34.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.48 -56.68 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.6 t -138.74 118.59 13.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -51.43 -38.71 54.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -41.82 -30.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' C ' HD12 ' A' ' 25' ' ' LEU . 23.9 mtp180 -119.27 152.21 37.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 t -48.6 165.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 13.3 t80 -105.29 2.3 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -124.28 -42.28 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.25 -10.98 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 55.07 43.24 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -90.53 154.44 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -63.22 126.69 28.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 17' ' ' ARG . 16.9 mt -109.37 118.24 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.46 151.89 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -38.38 -43.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.62 -46.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' GLN . 11.6 mm100 -56.64 -62.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 72.9 mt-30 -33.36 -37.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 7.0 mm-40 -78.83 -53.11 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.59 -62.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.92 -42.18 2.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 4.7 p -35.16 152.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 t -126.36 178.07 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.91 -37.53 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -51.85 -42.98 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 25.17 0.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 19' ' ' PHE . 53.6 m-85 -135.63 158.74 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -120.14 128.42 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -128.78 153.79 47.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 p -54.99 -176.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.5 ttp -74.99 -0.67 19.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -104.66 -33.17 8.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -105.17 -10.58 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -42.35 -39.14 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 8.4 mt -56.05 152.78 20.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.711 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.434 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.69 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.27 -27.55 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.46 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 28.8 mm-40 -64.51 -44.23 91.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' ASP . 33.3 p-80 -110.48 34.57 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' HIS . 4.1 t70 34.25 44.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -36.38 141.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -89.46 -29.36 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -60.08 179.75 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -131.91 91.53 2.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -63.53 -38.15 90.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.4 mmt -133.67 94.68 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 42.21 -116.85 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.03 121.72 46.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.16 142.92 16.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -108.16 122.22 46.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.955 0.407 . . . . 0.0 110.853 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.06 157.9 51.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 100.44 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -124.18 153.75 41.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.8 p -142.33 145.29 33.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.464 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -64.58 141.9 58.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -114.61 144.15 43.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.79 -42.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -136.52 140.87 43.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t 58.33 42.28 21.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.48 89.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.5 p -71.49 121.82 19.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -89.39 41.72 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.5 p -100.08 145.39 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 8.5 tppt? -84.66 -45.46 12.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -92.83 118.13 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -90.29 -46.36 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -119.17 147.31 44.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -81.85 42.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -122.0 -38.91 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' CYS . 34.4 mtm180 -103.45 137.23 41.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ARG . 19.9 t -41.59 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -102.87 -4.01 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.514 HE21 ' CD2' ' A' ' 45' ' ' HIS . 3.1 tt0 -116.8 -40.18 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.85 -11.77 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 55.91 44.27 26.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -96.67 142.97 28.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 131.27 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.02 129.18 56.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.35 156.69 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.17 -43.31 2.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -66.31 -39.78 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.73 -65.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.0 mt-30 -33.95 -41.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.75 -47.05 41.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 32' ' ' LEU . 11.1 mp -71.08 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.38 -38.8 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 6.4 p -36.64 151.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.57 178.82 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -87.13 -36.6 17.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -51.17 -42.49 60.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.86 25.47 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.743 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 51.3 m-85 -135.54 151.14 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t -114.47 126.45 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.1 m-85 -122.05 178.61 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.3 179.64 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.9 ttp -64.87 -7.75 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.48 -31.95 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.514 ' CD2' HE21 ' A' ' 20' ' ' GLN . 36.1 m80 -118.72 22.35 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -28.03 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.44 155.93 91.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.78 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 5.2 pm0 -57.75 -27.16 62.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.486 ' NE2' ' HG2' ' A' ' 49' ' ' GLU . 1.2 mp0 -64.86 -41.25 95.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.8 p-80 -113.31 35.16 4.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.3 m-20 34.71 43.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.5 t -34.54 143.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 55' ' ' PHE . 8.7 t -90.33 -29.13 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.42 ' N ' HG23 ' A' ' 54' ' ' THR . 2.9 t80 -58.88 174.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.55 88.45 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -59.28 92.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.6 tpp -77.96 -59.38 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.22 97.22 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -173.83 149.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.96 116.15 8.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.5 m -84.8 122.69 29.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -166.48 83.96 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 102.23 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.7 t 52.74 42.12 31.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -138.18 157.44 46.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.501 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -162.32 150.33 14.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -164.89 151.99 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.03 149.05 20.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -112.48 42.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.835 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -39.04 145.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 61.33 76.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.7 m -34.82 -39.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -83.62 55.92 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.6 p -97.53 106.63 18.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HG2' ' CE2' ' A' ' 19' ' ' PHE . 5.0 tptt -149.58 160.08 43.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.58 45.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -71.64 -34.59 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 m -127.62 99.8 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -49.76 -34.48 19.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 43.7 ttt180 -55.99 -31.12 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -108.27 149.12 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.1 t -48.18 165.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.58 -3.2 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -119.37 -41.66 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.14 -4.66 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 46.65 40.43 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -84.3 153.1 23.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 125.62 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mt -111.87 121.76 45.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 12.4 mt-10 -68.03 155.65 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 27' ' ' LEU . 3.9 mm? -41.8 -38.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.11 -39.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.1 mm100 -67.99 -63.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 42.3 mt-30 -31.1 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.8 mm-40 -73.82 -54.88 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.4 mp -64.85 -65.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.98 -41.82 1.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.9 p -38.91 151.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -124.9 179.08 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -88.31 -33.93 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 p -52.73 -44.09 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.96 25.32 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -138.07 150.89 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.7 127.23 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.11 174.56 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -82.96 177.0 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.55 -6.86 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.9 mt -102.95 -24.51 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -122.2 16.53 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -71.39 -35.07 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.98 151.98 84.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.497 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.74 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.4 -26.14 39.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.09 -42.57 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.6 p-80 -111.44 33.63 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' HIS . 10.6 m-20 34.67 47.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.1 t -37.79 140.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -88.6 -20.23 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -64.38 156.74 28.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -109.54 103.85 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -68.4 122.72 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -77.78 171.4 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.6 -40.53 2.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -75.64 90.18 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -119.71 -51.65 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -96.66 157.82 15.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.964 0.412 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.98 -173.94 22.15 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 160.04 51.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -105.46 42.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 t -105.69 149.96 25.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.071 -0.849 . . . . 0.0 112.523 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -164.86 154.87 13.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -119.96 -60.58 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.1 125.45 24.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 p -54.47 132.17 44.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -166.9 133.34 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.75 89.1 1.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -69.57 -49.22 56.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -127.29 118.05 23.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.0 p -81.69 172.48 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -82.26 -39.7 22.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -100.21 107.8 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -93.16 -37.56 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -123.52 143.79 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -89.14 46.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 9.3 ttm180 -117.83 -39.58 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -112.06 147.59 35.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 t -43.89 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.89 -4.42 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.29 -41.4 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLN . 24.5 p -113.18 0.65 14.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 13.8 mp0 38.13 50.39 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -95.55 144.48 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 123.93 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.83 121.82 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' GLN . 7.2 mm-40 -63.04 154.64 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.41 -38.22 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.5 p -76.56 -26.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.0 mm100 -74.36 -62.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' GLN . 68.0 mt-30 -34.22 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.4 mt-10 -78.67 -52.08 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.7 mp -64.11 -64.88 0.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.5 -39.69 4.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.9 p -34.74 151.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 -179.76 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -91.12 -35.82 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.7 p -52.15 -40.03 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.69 22.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 64.0 m-85 -134.51 151.41 51.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -113.91 124.41 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 4.1 m-85 -117.83 178.72 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.72 -177.56 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.0 ttp -68.49 -4.1 13.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -106.12 -24.97 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -120.71 12.24 11.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -63.45 -34.48 77.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.12 152.02 94.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.71 -50.9 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -54.29 -28.18 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.58 -44.43 86.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 23.8 p-80 -109.79 34.87 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 2.7 m-20 33.82 46.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.6 t -36.9 142.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.51 -27.87 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -58.61 153.88 15.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.82 49.01 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -41.1 -38.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.0 mmm -54.61 142.43 28.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.24 167.13 25.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -130.59 169.51 15.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.46 -102.22 0.18 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 t -87.27 94.74 9.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.89 113.49 2.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 65' ' ' SER . 53.8 Cg_endo -69.79 5.67 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -32.21 113.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.8 t -113.7 146.96 39.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.455 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -135.65 142.54 45.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -98.86 159.41 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.4 94.44 0.94 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -63.23 175.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -95.84 -61.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.47 168.57 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m -60.1 176.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -111.94 140.16 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -99.05 144.41 28.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 1.2 tpmp? -97.12 177.41 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 69.26 36.1 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -38.82 -38.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.6 m -160.88 110.09 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' ARG . 36.2 mtt-85 -35.9 -40.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -34.94 -45.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -105.83 151.97 23.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 t -48.1 163.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -104.36 -2.85 24.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -114.22 -43.22 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.94 -12.87 14.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 59.19 42.22 18.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -91.25 143.03 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -58.69 119.66 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mt -104.12 128.69 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' LEU . 5.2 mm-40 -83.27 160.35 21.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' GLU . 4.4 mm? -35.43 -38.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.52 -64.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLY . 28.1 mm100 -58.03 -58.52 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 25' ' ' LEU . 81.4 mt-30 -31.66 -41.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.4 mm-40 -89.11 -46.0 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.38 -60.69 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' GLN . . . -50.31 -36.98 30.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLY . 31.0 p -37.57 154.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.91 178.23 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -88.95 -35.51 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.89 -41.23 45.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.8 21.64 1.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 69.8 m-85 -135.71 147.87 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.2 t -108.8 128.14 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.76 173.89 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.2 p -84.21 174.42 10.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ttp -59.17 -13.88 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.59 -38.14 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -111.36 22.32 15.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' CYS . 5.0 ptm180 -73.7 -31.34 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.31 152.81 93.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.79 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.63 2.22 . . . . 0.0 112.3 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.22 -27.36 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.01 -42.92 89.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.5 p-80 -111.26 33.42 4.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' HIS . 33.5 t70 34.71 47.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.5 t -39.37 141.11 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 t -87.52 -24.35 24.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.21 156.53 18.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -109.81 112.69 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -85.59 -37.87 19.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.3 108.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.61 -84.41 1.77 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -152.95 147.42 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -166.01 -150.63 6.38 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 t -116.85 128.38 55.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.33 173.31 19.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 148.08 64.54 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 t -97.64 83.12 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.0 t -75.21 88.24 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.461 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -70.02 137.62 51.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p 45.63 42.19 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.82 83.57 0.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -151.05 128.99 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 m -116.8 121.77 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.89 70.1 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 4.6 t -148.65 117.51 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 0.0 110.891 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 8' ' ' SER . 3.0 mpt_? -132.78 124.1 27.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.0 p -113.65 140.84 47.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -78.08 -35.11 49.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 8.0 tp-100 -74.85 79.4 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -69.08 -46.25 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.7 m -142.86 114.9 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -49.93 -38.49 36.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -40.22 -42.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 18' ' ' CYS . 46.2 mtm180 -105.99 143.39 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' ARG . 16.3 t -41.7 164.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -103.42 -4.49 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -114.96 -43.34 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.0 -9.56 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 56.36 38.4 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -94.29 135.12 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.58 143.81 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' CD1' HG13 ' A' ' 40' ' ' VAL . 18.3 mt -121.8 119.42 31.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' LEU . 70.0 mm-40 -57.41 149.79 19.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -36.67 -50.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.47 -44.56 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' GLN . 13.8 mm100 -54.94 -64.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 63.6 mt-30 -32.44 -38.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.7 mt-10 -75.28 -52.26 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.0 mp -65.67 -61.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.34 -41.24 6.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.2 p -37.13 150.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.833 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.86 -177.44 3.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -90.5 -36.94 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -51.59 -43.98 62.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.94 27.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.5 m-85 -137.96 150.04 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 25' ' ' LEU . 89.1 t -110.72 129.02 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 5.0 m-85 -124.58 175.1 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.5 -179.56 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ttp -66.38 -8.6 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -101.95 -27.42 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -117.03 17.17 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -70.87 -34.84 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.85 152.16 91.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.71 -50.66 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.58 -28.55 46.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.0 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.5 p-80 -111.96 35.52 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t0 33.41 46.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 28.6 t -37.57 141.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -85.13 -31.59 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -56.95 164.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -119.88 108.11 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -74.29 161.92 29.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -52.42 -46.23 66.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.21 136.29 17.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -57.81 2.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 153.26 -128.1 2.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.6 p -174.06 132.37 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 43.95 -149.42 0.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.49 25.19 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.387 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.0 t -150.24 149.06 29.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 t -107.79 130.03 55.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.518 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -93.86 -48.83 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t 45.1 42.25 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.37 161.66 33.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -141.44 121.43 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -108.86 43.02 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.36 156.9 53.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.2 p -80.86 128.03 33.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -38.91 -59.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.9 p -165.6 128.1 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 31.2 tttp -61.24 -23.8 65.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -101.52 126.15 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -115.93 -41.25 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 m -130.43 137.32 49.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -79.11 45.99 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 19.0 ttm105 -122.88 -36.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -111.88 146.77 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.2 t -46.85 164.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.19 -3.27 27.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -118.29 -42.7 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.1 -3.18 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 46.37 40.94 8.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 t -89.63 147.64 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -62.98 124.37 20.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 mt -104.68 126.14 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.26 150.68 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 27' ' ' LEU . 3.9 mm? -40.14 -38.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.9 p -76.78 -47.47 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 30' ' ' GLN . 4.0 tm0? -55.75 -56.26 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.2 mt-30 -32.74 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 12.2 mt-10 -82.38 -54.95 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -50.99 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.08 -39.83 5.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.2 p -33.8 145.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.903 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -124.23 173.41 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -78.66 -37.33 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 p -49.06 -43.69 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.75 24.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 48.9 m-85 -135.38 150.29 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.957 0.408 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.85 128.04 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -121.61 178.41 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.7 p -85.75 166.95 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.8 ttp -54.45 -14.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.37 -32.64 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -113.22 14.24 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' CYS . 4.0 ptm180 -63.61 -34.71 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.9 mt -63.69 152.25 86.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.552 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.79 -48.54 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -57.37 -26.64 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.406 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 44.6 mm-40 -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 22.8 p-80 -112.83 35.75 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.2 m-20 34.13 45.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASP . 34.7 t -35.77 141.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 t -88.7 -31.74 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -49.9 167.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -99.03 -34.33 10.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 63.64 44.38 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 mtt -50.55 169.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.5 -71.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -143.61 111.71 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.48 -83.36 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m 50.73 43.22 28.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.47 99.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.87 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 m -54.79 -44.96 74.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 t -82.03 96.37 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.487 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 58.95 43.83 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -90.89 -51.66 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.91 170.32 13.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -115.82 166.74 11.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -117.58 -48.82 2.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.42 179.32 53.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 p -100.84 99.33 9.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -91.15 112.28 24.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 m 53.12 49.94 18.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -43.87 31.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -74.11 115.14 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -35.78 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.1 p -159.32 126.69 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -49.18 -55.1 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' ARG . 29.9 mtt180 -32.8 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' ARG . 16.8 mtt85 -108.74 138.01 45.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.4 t -44.1 165.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.42 -3.88 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -119.82 -41.39 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.06 -8.39 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 50.57 46.18 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.1 t -94.77 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.69 127.04 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -110.16 120.4 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLN . 27.3 mt-10 -53.04 145.25 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -36.7 -41.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.3 p -74.76 -38.72 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' GLU . 9.1 mm100 -57.8 -60.29 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.2 mt-30 -33.93 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' GLN . 5.8 mm-40 -78.74 -51.31 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 29' ' ' GLN . 5.7 mp -63.72 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.04 -39.43 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.456 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 14.4 p -36.61 151.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.869 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.59 179.08 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.6 p -49.05 -44.53 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.09 25.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.6 m-85 -136.6 150.78 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.926 0.393 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.5 t -109.88 127.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.74 172.86 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.5 p -81.44 178.52 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 ttp -65.15 -6.86 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -101.76 -28.1 12.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -117.71 16.29 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.19 -32.83 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.82 151.9 94.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.449 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.7 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.89 -25.45 57.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.4 -42.26 79.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.46 ' O ' ' C ' ' A' ' 52' ' ' ASP . 29.6 p-80 -112.63 34.85 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.2 m-20 33.53 45.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.3 t -35.93 136.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -82.68 -31.23 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -54.5 164.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -113.72 49.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CD2' ' N ' ' A' ' 58' ' ' MET . 6.1 p-80 -96.86 -31.82 12.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 5.5 tmm? -43.76 115.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.61 -178.18 46.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -56.08 103.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.38 156.58 22.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 m -127.75 108.95 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.71 -152.52 6.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 88.65 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.737 2.291 . . . . 0.0 112.318 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.1 p -78.64 -52.93 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -67.2 107.09 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.509 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -127.47 99.94 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -150.36 130.52 13.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.61 178.05 17.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -139.59 122.01 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -93.01 -52.27 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.33 56.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.8 p -169.41 124.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -128.85 120.55 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.4 t -67.26 110.65 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -60.85 -46.42 90.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -58.66 110.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -90.38 -49.47 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -141.93 154.69 45.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -84.46 39.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -119.5 -39.34 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -110.72 144.11 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 t -42.68 166.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -102.82 -5.73 23.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -115.78 -42.73 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -110.89 -7.36 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 49.87 45.8 24.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.9 t -93.09 146.61 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -55.87 118.42 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 mt -104.13 117.12 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 9.0 pt-20 -61.03 156.87 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.36 -45.89 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 35.4 m -64.13 -34.3 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' GLU . 26.0 mm100 -71.67 -64.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' GLN . 37.4 mt-30 -33.39 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.5 mm-40 -85.87 -52.59 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.67 -63.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.75 -38.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.8 p -37.27 149.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.14 -179.25 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -88.16 -37.71 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.99 -44.53 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.26 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.1 m-85 -138.25 155.01 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.6 t -113.54 130.72 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 7.6 m-85 -125.52 175.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -82.19 -177.45 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.495 ' O ' ' CE ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -67.23 -9.79 44.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -102.18 -23.19 14.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -120.06 14.75 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.98 -34.78 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.42 152.25 94.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.732 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.49 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.8 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.66 -30.79 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -62.02 -46.68 88.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.49 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.5 p-80 -107.85 35.39 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' HIS . 5.1 t70 33.55 45.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 24.2 t -36.43 141.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.2 t -85.25 -31.53 23.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -55.98 167.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -124.84 86.98 2.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -50.11 -39.34 42.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.8 mtp -74.45 -57.39 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.75 156.69 9.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 162.18 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.22 144.64 3.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 t 61.41 42.25 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.14 148.71 11.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.93 6.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -51.13 -61.08 2.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -113.7 164.81 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 p -169.72 132.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -113.59 146.19 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.66 98.97 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -91.55 116.02 28.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -132.7 122.63 24.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.5 -45.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -88.98 94.55 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.8 mtp85 -133.39 103.47 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.2 p -90.51 92.35 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -108.33 169.41 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 74.0 43.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -42.56 -38.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.4 m -151.91 161.2 43.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -83.09 39.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -119.77 -39.41 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -109.11 136.58 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 t -42.82 166.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -100.58 -2.83 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -120.06 -41.75 2.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -112.04 -7.31 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 49.93 41.87 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -88.67 140.74 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -52.29 125.44 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.93 130.1 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -70.54 154.29 42.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -39.01 -40.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.97 -46.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' GLU . 3.8 mm-40 -57.93 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.5 mt-30 -34.6 -32.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' GLN . 69.8 mm-40 -89.39 -47.43 8.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.79 -66.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.87 -33.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.4 p -42.27 151.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.53 179.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -90.07 -36.61 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -49.54 -44.95 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.0 27.38 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 70.7 m-85 -141.34 148.26 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.93 131.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -126.95 177.63 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.71 -178.39 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.17 -6.06 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.7 mt -102.74 -26.53 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -120.7 16.57 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.58 -30.73 67.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.09 151.26 97.24 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.438 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.72 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -58.29 -24.18 58.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 52' ' ' ASP . 31.8 p-80 -110.34 33.93 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' HIS . 11.8 m-20 34.45 46.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 t -38.22 140.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -84.12 -29.29 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -58.94 173.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -125.9 81.85 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -56.26 143.37 34.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.2 mtm -107.57 163.34 13.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -174.18 -35.1 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' GLY . 18.7 ptt-85 35.11 45.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.4 -47.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.4 p -84.87 174.3 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.61 164.25 12.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 0.01 6.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 t -99.91 111.26 23.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.7 m -160.72 166.08 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.482 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 m -110.0 97.45 6.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -151.31 138.95 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.28 -68.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 p -80.04 117.57 20.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -124.95 140.15 53.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.94 -98.92 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.7 m -143.56 110.69 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 149.21 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t -147.18 150.05 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 -65.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -61.44 136.74 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -107.21 -33.42 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -148.62 118.51 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 12.7 mmp_? -43.98 -36.51 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -41.04 -35.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -112.22 151.12 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.8 t -55.18 165.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.08 -0.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -121.35 -42.29 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.84 -6.86 13.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 50.36 43.86 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.29 141.45 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -53.07 121.36 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 15' ' ' ARG . 17.1 mt -102.97 116.84 33.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' GLN . 16.9 mp0 -60.91 154.71 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -39.56 -52.98 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 29' ' ' GLN . 6.7 p -63.0 -33.28 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLU . 13.0 mm100 -68.74 -65.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' GLN . 61.9 mt-30 -31.74 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLN . 37.6 mt-10 -75.56 -54.33 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.8 mp -63.41 -64.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . -37.3 -38.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.5 p -38.0 156.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 0.0 110.828 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -132.29 179.5 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -86.84 -37.66 17.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 p -53.22 -43.1 66.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.66 26.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 59.6 m-85 -137.51 156.06 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.897 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t -119.53 124.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -122.55 153.97 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 23.7 p -54.5 -176.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 ttp -73.7 -1.39 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -103.76 -33.86 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -104.91 -12.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -39.66 -36.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.1 mt -58.88 153.0 45.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.457 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.71 -48.72 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -58.98 -27.93 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.412 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 26.1 mm-40 -63.83 -43.11 97.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.9 p-80 -111.29 34.63 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 5.1 t70 34.39 43.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 12.2 t -34.39 142.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -92.26 -31.09 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.459 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 13.6 t80 -48.66 154.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -83.9 -31.52 25.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' ' HB3' ' A' ' 55' ' ' PHE . 79.1 m-70 58.73 45.82 15.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.6 ptm -41.28 157.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.0 -47.2 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -111.93 127.49 55.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.34 -160.5 32.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -97.33 153.51 18.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.06 175.59 37.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 90.33 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -72.71 -45.3 59.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 t 54.98 42.31 31.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.443 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 t -45.36 165.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.79 -2.34 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -117.71 -43.72 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.51 -11.85 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 55.33 39.94 31.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 t -86.44 161.6 18.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HE3' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -72.72 128.08 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.87 121.13 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -66.05 167.87 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.85 -40.37 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -71.01 -49.22 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' N ' HG13 ' A' ' 28' ' ' VAL . 2.3 mm-40 -54.67 -62.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' GLN . 72.3 mt-30 -35.15 -35.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLN . 24.0 mm-40 -82.23 -50.8 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.22 -61.73 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.0 -43.76 8.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.22 150.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.05 -179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -88.85 -36.17 16.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 p -51.23 -43.6 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.03 23.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.4 m-85 -136.71 149.08 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 34' ' ' SER . 59.3 t -111.37 131.4 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.2 m-85 -124.91 -179.89 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' ARG . 27.3 p -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.1 ttp -64.94 -8.32 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.37 -28.78 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -117.1 15.19 15.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' CYS . 10.1 ptt180 -67.62 -35.97 79.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.417 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.5 mt -62.53 152.63 80.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.52 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.82 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -54.75 -29.6 54.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.417 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 16.3 mm-40 -63.47 -43.26 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.8 p-80 -111.23 35.26 3.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.4 m-20 33.65 46.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ASP . 26.5 t -36.5 139.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -83.64 -31.6 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' HB2' HG22 ' A' ' 23' ' ' THR . 17.3 t -55.99 164.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.28 -2.78 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -116.0 -40.89 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -113.83 -11.4 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 56.58 44.25 24.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 18' ' ' CYS . 6.3 t -92.15 144.65 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -61.39 120.25 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 42' ' ' CYS . 16.1 mt -101.98 132.87 47.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.56 159.18 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -38.01 -54.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 29' ' ' GLN . 31.7 m -58.94 -48.14 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' N ' HG23 ' A' ' 28' ' ' VAL . 85.3 mm-40 -53.97 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' GLN . 71.5 mt-30 -33.51 -38.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' GLN . 34.4 mm-40 -83.11 -47.62 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.0 mp -65.8 -66.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.4 -38.85 5.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.6 p -35.29 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.5 179.45 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -88.07 -37.2 16.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 p -50.79 -42.49 58.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.23 25.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.4 m-85 -136.55 151.14 49.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -113.13 129.55 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.722 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -123.6 175.15 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.4 p -83.82 177.54 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -63.56 -9.31 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.02 -27.93 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.0 16.82 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -66.98 -34.99 78.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.27 154.05 64.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.518 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.77 -51.0 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.383 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -58.4 -27.05 63.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.26 -41.54 99.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.5 p-80 -112.11 36.91 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' CYS . 22.6 t0 35.74 42.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ASP . 30.5 t -35.63 141.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -88.41 -32.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.54 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 16.3 t -51.42 166.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.799 ' HA ' HE22 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -102.98 -6.77 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -117.59 -40.41 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -110.94 0.28 17.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.799 HE22 ' HA ' ' A' ' 19' ' ' PHE . 1.8 mp0 39.46 46.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.6 t -89.84 155.46 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -64.39 116.8 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 18' ' ' CYS . 11.9 mt -102.81 133.88 47.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -76.96 155.47 32.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -46.19 -39.2 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.78 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.7 p -75.63 -26.85 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 tm0? -78.45 -64.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLN . 76.1 mt-30 -33.26 -37.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 48.5 mm-40 -76.89 -51.03 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 28' ' ' VAL . 8.5 mp -64.96 -62.38 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.99 -34.7 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -39.26 148.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -120.63 178.75 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -87.03 -36.99 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 p -49.98 -42.69 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.95 22.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 73.8 m-85 -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.948 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t -116.54 127.4 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -125.36 172.91 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' ARG . 29.2 p -83.48 174.28 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.5 ttp -57.73 -14.64 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.14 -37.92 13.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -111.92 20.53 16.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' CYS . 3.8 ptm180 -71.4 -31.1 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 11.6 mt -67.32 153.28 95.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.75 -49.24 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -57.66 -28.32 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 15.8 mm-40 -64.04 -42.44 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.8 p-80 -111.5 35.44 3.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' HIS . 23.5 t0 34.43 44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' ASP . 33.6 t -34.35 143.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -90.3 -29.64 17.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 t -42.69 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -103.29 -5.21 23.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -115.87 -41.98 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.45 -7.17 15.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 53.41 32.75 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -88.72 130.96 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.33 144.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.529 HD13 HG12 ' A' ' 40' ' ' VAL . 12.0 mt -123.38 118.1 26.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -49.68 150.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.626 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -40.2 -43.42 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 29' ' ' GLN . 9.3 p -72.74 -40.43 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' GLU . 6.9 mm100 -57.49 -60.02 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.4 mt-30 -35.1 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 29' ' ' GLN . 29.4 mt-10 -81.91 -54.74 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.14 -63.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -46.49 -39.26 10.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.45 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.2 p -35.66 151.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.68 178.58 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -86.54 -36.58 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 p -51.08 -42.08 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.16 24.7 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.05 150.04 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.922 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.529 HG12 HD13 ' A' ' 25' ' ' LEU . 92.7 t -111.31 128.87 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -125.08 176.51 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -84.84 -178.35 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 ttp -68.46 -2.13 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.63 -24.24 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -124.36 18.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -72.6 -27.04 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.38 151.33 94.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -63.72 -17.56 63.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -77.3 -39.11 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.8 p-80 -114.49 32.82 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' HIS . 51.3 m-20 35.85 46.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 16.8 t -37.74 143.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -89.05 -26.23 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 t -46.29 166.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.623 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -106.43 -5.59 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -111.87 -39.96 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -115.92 -11.32 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 56.53 43.62 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -92.85 143.11 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -55.06 128.05 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.37 125.92 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' GLN . 49.9 mt-10 -67.66 146.24 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -35.2 -41.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -70.15 -44.15 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.0 mm100 -60.99 -62.07 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' GLN . 73.1 mt-30 -34.28 -34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' GLN . 6.0 mm-40 -77.59 -53.65 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.52 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.81 -37.46 1.34 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 p -41.06 154.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.32 178.46 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -88.2 -35.9 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.34 23.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.59 150.44 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 0.0 110.916 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.85 129.46 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.09 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 30.0 p -88.24 174.39 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.3 ttp -58.23 -13.82 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -93.08 -37.42 12.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -112.87 22.84 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.6 ptm180 -75.89 -31.23 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 ' OE2' ' A' ' 49' ' ' GLU . 10.4 mt -66.69 151.59 96.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.74 -45.19 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 2.24 . . . . 0.0 112.404 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' OE2' HD22 ' A' ' 47' ' ' LEU . 13.7 pm0 -61.98 -22.78 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -71.69 -40.42 69.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.509 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.6 p-80 -112.73 33.53 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' HIS . 19.8 t70 34.66 46.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.9 t -37.87 138.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -81.94 -29.59 32.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' HG22 ' A' ' 23' ' ' THR . 20.8 t -51.07 165.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.95 -3.02 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 45' ' ' HIS . 5.4 tt0 -114.2 -40.21 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -118.19 -9.36 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 54.12 52.95 11.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.9 t -99.47 142.54 30.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -56.63 121.09 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -104.21 125.99 50.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.43 168.58 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.39 -40.12 61.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.08 -40.02 57.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.6 mm100 -62.75 -63.01 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' GLN . 32.3 mt-30 -33.71 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 45.4 mm-40 -80.85 -53.28 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.55 -61.72 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.59 -42.63 10.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.4 p -34.85 151.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.71 -178.97 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -88.58 -37.57 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.66 -42.38 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.67 21.13 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -132.46 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.01 126.64 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.3 m-85 -121.64 178.61 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.7 p -89.0 -179.99 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -64.93 -7.29 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.08 -32.8 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.466 ' CD2' ' HB3' ' A' ' 20' ' ' GLN . 68.9 m-70 -116.23 22.59 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -75.26 -34.48 61.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.91 151.48 85.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.8 Cg_endo -69.71 -48.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -57.88 -26.74 62.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -66.48 -41.66 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.9 p-80 -113.08 34.07 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' HIS . 39.0 m-20 34.15 45.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.2 t -36.01 142.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 t -87.95 -27.67 21.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.875 0.369 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 t -52.28 165.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.67 -4.04 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -114.82 -41.1 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -113.98 -9.43 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 55.0 37.68 29.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 t -86.55 146.69 26.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -57.99 127.63 33.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 mt -109.2 125.05 51.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLN . 1.9 mp0 -66.63 155.8 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -45.58 -39.48 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.623 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.6 p -76.63 -23.66 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.3 mm100 -78.76 -63.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 29' ' ' GLN . 74.9 mt-30 -33.27 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 39.7 mm-40 -77.83 -53.26 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 28' ' ' VAL . 6.5 mp -62.05 -65.79 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.48 -40.42 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.4 p -36.4 153.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 t -130.05 177.33 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -85.88 -33.7 21.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -51.04 -43.45 60.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.64 23.1 0.91 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 61.2 m-85 -136.19 149.86 48.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -112.03 131.01 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.34 -178.84 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.81 -178.35 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -68.69 -0.99 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -106.03 -31.11 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -119.35 21.89 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.68 -34.96 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -62.44 152.38 80.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.571 0.7 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.75 -47.61 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.97 -26.24 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -68.22 -41.07 81.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.0 p-80 -112.84 33.4 5.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 45.0 m-20 34.19 45.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 15.8 t -36.34 143.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -92.21 -29.91 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 t -52.64 165.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.03 -3.45 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.02 -42.88 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.79 -10.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 53.67 41.55 32.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.69 146.18 24.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -58.38 122.25 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.477 HD13 HG12 ' A' ' 40' ' ' VAL . 15.7 mt -103.12 118.66 37.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -61.69 157.34 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -41.06 -47.32 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.612 HG22 HD13 ' A' ' 32' ' ' LEU . 9.9 p -67.64 -41.91 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' N ' HG13 ' A' ' 28' ' ' VAL . 13.9 mm100 -58.97 -63.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.5 mt-30 -33.9 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.53 -49.38 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD13 HG22 ' A' ' 28' ' ' VAL . 9.3 mp -65.36 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.63 -41.11 6.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.19 150.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.876 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.24 179.96 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -88.12 -37.33 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -49.43 -44.45 45.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.41 25.86 0.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.8 m-85 -138.74 147.4 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.963 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 25' ' ' LEU . 65.2 t -107.49 131.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 4.7 m-85 -125.06 176.04 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.7 p -83.91 -180.0 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.5 ttp -66.33 -8.16 23.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.76 -25.71 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.77 20.14 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -72.72 -30.58 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.66 153.64 95.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.75 -50.33 0.48 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -55.09 -28.26 51.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -64.8 -43.37 93.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.5 p-80 -112.02 35.75 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' HIS . 9.3 t0 32.95 45.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.9 t -36.77 140.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.34 -30.36 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' HB2' HG22 ' A' ' 23' ' ' THR . 15.7 t -47.54 165.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -104.42 -5.51 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -115.97 -38.33 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.45 -5.94 12.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 47.61 50.26 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.2 t -99.11 146.62 25.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -56.35 128.15 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.03 118.06 35.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' LEU . 3.3 mm-40 -59.32 151.42 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -33.55 -56.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.552 HG22 HD13 ' A' ' 32' ' ' LEU . 7.9 p -60.93 -46.54 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 28' ' ' VAL . 36.5 mm-40 -50.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' GLN . 65.9 mt-30 -34.47 -37.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' GLN . 13.3 mm-40 -78.76 -50.3 11.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 HG22 ' A' ' 28' ' ' VAL . 9.5 mp -65.64 -62.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.71 -41.11 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.7 p -36.23 148.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.834 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.6 179.97 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -88.62 -36.69 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -50.81 -42.91 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.12 24.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.615 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.9 m-85 -136.49 149.93 48.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.41 128.55 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -124.67 175.45 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ARG . 26.7 p -83.31 178.27 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.4 ttp -64.49 -9.14 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -100.81 -24.88 14.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -121.27 16.66 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.0 ptm180 -70.67 -33.5 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.29 152.63 88.09 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.642 0.734 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.2 Cg_endo -69.76 -49.79 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.31 -30.07 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -62.45 -43.07 99.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.0 p-80 -111.48 34.63 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 7.1 m-20 34.04 45.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.2 t -37.0 141.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -86.01 -27.02 25.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.86 0.362 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 t -48.6 165.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 13.3 t80 -105.29 2.3 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -124.28 -42.28 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.25 -10.98 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 55.07 43.24 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -90.53 154.44 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -63.22 126.69 28.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.9 mt -109.37 118.24 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.46 151.89 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -38.38 -43.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -68.62 -46.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' HG13 ' A' ' 28' ' ' VAL . 11.6 mm100 -56.64 -62.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 72.9 mt-30 -33.36 -37.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 7.0 mm-40 -78.83 -53.11 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.59 -62.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.92 -42.18 2.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 4.7 p -35.16 152.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 t -126.36 178.07 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.91 -37.53 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -51.85 -42.98 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 25.17 0.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 19' ' ' PHE . 53.6 m-85 -135.63 158.74 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 34' ' ' SER . 43.5 t -120.14 128.42 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -128.78 153.79 47.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 p -54.99 -176.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.5 ttp -74.99 -0.67 19.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -104.66 -33.17 8.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -105.17 -10.58 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -42.35 -39.14 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 8.4 mt -56.05 152.78 20.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.711 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.473 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.69 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.27 -27.55 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 28.8 mm-40 -64.51 -44.23 91.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 33.3 p-80 -110.48 34.57 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' HIS . 4.1 t70 34.25 44.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -36.38 141.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -89.46 -29.36 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' CYS . 34.4 mtm180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.9 t -41.59 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -102.87 -4.01 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.469 HE21 ' CG ' ' A' ' 45' ' ' HIS . 3.1 tt0 -116.8 -40.18 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.85 -11.77 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 55.91 44.27 26.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 18' ' ' CYS . 4.7 t -96.67 142.97 28.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 131.27 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.02 129.18 56.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.35 156.69 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.17 -43.31 2.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.776 ' O ' HD13 ' A' ' 32' ' ' LEU . 7.1 p -66.31 -39.78 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.73 -65.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.0 mt-30 -33.95 -41.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.75 -47.05 41.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 28' ' ' VAL . 11.1 mp -71.08 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.38 -38.8 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 6.4 p -36.64 151.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.57 178.82 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -87.13 -36.6 17.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -51.17 -42.49 60.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.86 25.47 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.743 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 51.3 m-85 -135.54 151.14 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t -114.47 126.45 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.1 m-85 -122.05 178.61 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.3 179.64 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.9 ttp -64.87 -7.75 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.48 -31.95 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.469 ' CG ' HE21 ' A' ' 20' ' ' GLN . 71.3 m-70 -118.72 22.35 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -28.03 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD22 ' OE2' ' A' ' 49' ' ' GLU . 9.3 mt -68.44 155.93 91.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.49 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.78 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' OE2' HD22 ' A' ' 47' ' ' LEU . 5.2 pm0 -57.75 -27.16 62.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.86 -41.25 95.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.8 p-80 -113.31 35.16 4.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.3 m-20 34.71 43.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.5 t -34.54 143.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -90.33 -29.13 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.1 t -48.18 165.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.58 -3.2 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -119.37 -41.66 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.14 -4.66 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 46.65 40.43 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 4.9 t -84.3 153.1 23.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 125.62 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mt -111.87 121.76 45.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 12.4 mt-10 -68.03 155.65 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -41.8 -38.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.11 -39.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLU . 25.7 mm-40 -67.99 -63.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 42.3 mt-30 -31.1 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.8 mm-40 -73.82 -54.88 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.4 mp -64.85 -65.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.98 -41.82 1.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.9 p -38.91 151.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -124.9 179.08 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -88.31 -33.93 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 p -52.73 -44.09 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.96 25.32 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -138.07 150.89 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.7 127.23 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.11 174.56 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.4 p -82.96 177.0 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.55 -6.86 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.9 mt -102.95 -24.51 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -122.2 16.53 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -71.39 -35.07 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.98 151.98 84.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.512 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.74 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.4 -26.14 39.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.09 -42.57 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.6 p-80 -111.44 33.63 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' HIS . 10.6 m-20 34.67 47.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.1 t -37.79 140.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -88.6 -20.23 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 t -43.89 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.89 -4.42 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.29 -41.4 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLN . 24.5 p -113.18 0.65 14.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.0 mp0 38.13 50.39 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -95.55 144.48 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 123.93 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.83 121.82 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' GLN . 7.2 mm-40 -63.04 154.64 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.41 -38.22 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.535 ' O ' HD13 ' A' ' 32' ' ' LEU . 8.5 p -76.56 -26.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.0 mm100 -74.36 -62.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' GLN . 68.0 mt-30 -34.22 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.4 mt-10 -78.67 -52.08 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 28' ' ' VAL . 9.7 mp -64.11 -64.88 0.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.5 -39.69 4.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.9 p -34.74 151.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 -179.76 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -91.12 -35.82 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.7 p -52.15 -40.03 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.69 22.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 64.0 m-85 -134.51 151.41 51.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -113.91 124.41 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 4.1 m-85 -117.83 178.72 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.72 -177.56 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.0 ttp -68.49 -4.1 13.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -106.12 -24.97 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -120.71 12.24 11.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -63.45 -34.48 77.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.12 152.02 94.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.504 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.71 -50.9 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -54.29 -28.18 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.58 -44.43 86.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 23.8 p-80 -109.79 34.87 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 2.7 m-20 33.82 46.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.6 t -36.9 142.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.51 -27.87 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.8 t -48.1 163.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -104.36 -2.85 24.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -114.22 -43.22 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.94 -12.87 14.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 59.19 42.22 18.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.419 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.0 t -91.25 143.03 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -58.69 119.66 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mt -104.12 128.69 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' LEU . 5.2 mm-40 -83.27 160.35 21.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' GLU . 4.4 mm? -35.43 -38.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.52 -64.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLY . 84.0 mm-40 -58.03 -58.52 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 25' ' ' LEU . 81.4 mt-30 -31.66 -41.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.4 mm-40 -89.11 -46.0 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.38 -60.69 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' GLN . . . -50.31 -36.98 30.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLY . 31.0 p -37.57 154.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.91 178.23 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -88.95 -35.51 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.89 -41.23 45.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.8 21.64 1.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 69.8 m-85 -135.71 147.87 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 HD13 ' A' ' 25' ' ' LEU . 88.2 t -108.8 128.14 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.76 173.89 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.2 p -84.21 174.42 10.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ttp -59.17 -13.88 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.59 -38.14 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -111.36 22.32 15.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' CYS . 5.0 ptm180 -73.7 -31.34 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.31 152.81 93.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.489 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.79 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.63 2.22 . . . . 0.0 112.3 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.22 -27.36 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.01 -42.92 89.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.5 p-80 -111.26 33.42 4.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' HIS . 33.5 t70 34.71 47.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.5 t -39.37 141.11 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 t -87.52 -24.35 24.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 18' ' ' CYS . 46.2 mtm180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' ARG . 16.3 t -41.7 164.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -103.42 -4.49 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -114.96 -43.34 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.0 -9.56 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 56.36 38.4 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -94.29 135.12 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.58 143.81 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.519 HD13 HG12 ' A' ' 40' ' ' VAL . 18.3 mt -121.8 119.42 31.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' LEU . 70.0 mm-40 -57.41 149.79 19.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -36.67 -50.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -65.47 -44.56 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.471 ' N ' HG13 ' A' ' 28' ' ' VAL . 13.8 mm100 -54.94 -64.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 63.6 mt-30 -32.44 -38.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.7 mt-10 -75.28 -52.26 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.0 mp -65.67 -61.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.34 -41.24 6.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.2 p -37.13 150.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.833 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.86 -177.44 3.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -90.5 -36.94 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -51.59 -43.98 62.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.94 27.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.5 m-85 -137.96 150.04 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 HD13 ' A' ' 25' ' ' LEU . 89.1 t -110.72 129.02 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 5.0 m-85 -124.58 175.1 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.5 -179.56 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ttp -66.38 -8.6 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -101.95 -27.42 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -117.03 17.17 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -70.87 -34.84 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.85 152.16 91.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.71 -50.66 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.58 -28.55 46.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.0 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.5 p-80 -111.96 35.52 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t0 33.41 46.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 28.6 t -37.57 141.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -85.13 -31.59 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.903 0.382 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB2' HG22 ' A' ' 23' ' ' THR . 18.2 t -46.85 164.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.19 -3.27 27.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -118.29 -42.7 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.1 -3.18 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 46.37 40.94 8.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.8 t -89.63 147.64 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -62.98 124.37 20.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 42' ' ' CYS . 15.6 mt -104.68 126.14 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.26 150.68 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -40.14 -38.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.9 p -76.78 -47.47 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.528 ' N ' HG13 ' A' ' 28' ' ' VAL . 4.0 tm0? -55.75 -56.26 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.2 mt-30 -32.74 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 12.2 mt-10 -82.38 -54.95 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -50.99 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.08 -39.83 5.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.2 p -33.8 145.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.903 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -124.23 173.41 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -78.66 -37.33 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 p -49.06 -43.69 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.75 24.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 48.9 m-85 -135.38 150.29 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.957 0.408 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.85 128.04 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -121.61 178.41 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.7 p -85.75 166.95 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.8 ttp -54.45 -14.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.37 -32.64 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -113.22 14.24 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' CYS . 4.0 ptm180 -63.61 -34.71 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.9 mt -63.69 152.25 86.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.79 -48.54 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -57.37 -26.64 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 44.6 mm-40 -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 22.8 p-80 -112.83 35.75 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.2 m-20 34.13 45.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASP . 34.7 t -35.77 141.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 t -88.7 -31.74 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' HB2' HG22 ' A' ' 23' ' ' THR . 22.4 t -44.1 165.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.42 -3.88 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -119.82 -41.39 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.06 -8.39 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.4 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 17.3 mm100 50.57 46.18 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.1 t -94.77 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.69 127.04 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -110.16 120.4 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLN . 27.3 mt-10 -53.04 145.25 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -36.7 -41.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.476 HG22 HD13 ' A' ' 32' ' ' LEU . 9.3 p -74.76 -38.72 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' GLU . 9.1 mm100 -57.8 -60.29 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.2 mt-30 -33.93 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' GLN . 5.8 mm-40 -78.74 -51.31 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG22 ' A' ' 28' ' ' VAL . 5.7 mp -63.72 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.04 -39.43 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.456 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 14.4 p -36.61 151.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.869 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.59 179.08 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.6 p -49.05 -44.53 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.09 25.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.6 m-85 -136.6 150.78 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.926 0.393 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.5 t -109.88 127.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.74 172.86 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.5 p -81.44 178.52 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 ttp -65.15 -6.86 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -101.76 -28.1 12.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -117.71 16.29 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.19 -32.83 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.82 151.9 94.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.7 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.89 -25.45 57.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.4 -42.26 79.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.6 p-80 -112.63 34.85 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.2 m-20 33.53 45.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.3 t -35.93 136.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -82.68 -31.23 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HB2' HG22 ' A' ' 23' ' ' THR . 18.1 t -42.68 166.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -102.82 -5.73 23.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -115.78 -42.73 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -110.89 -7.36 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 49.87 45.8 24.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.9 t -93.09 146.61 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -55.87 118.42 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 42' ' ' CYS . 10.6 mt -104.13 117.12 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 29' ' ' GLN . 9.0 pt-20 -61.03 156.87 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.36 -45.89 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 35.4 m -64.13 -34.3 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' GLU . 81.8 mm-40 -71.67 -64.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' GLN . 37.4 mt-30 -33.39 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.5 mm-40 -85.87 -52.59 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 28' ' ' VAL . 8.9 mp -65.67 -63.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.75 -38.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' HG22 ' A' ' 40' ' ' VAL . 10.8 p -37.27 149.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.14 -179.25 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -88.16 -37.71 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.99 -44.53 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.26 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.1 m-85 -138.25 155.01 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 34' ' ' SER . 83.6 t -113.54 130.72 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 7.6 m-85 -125.52 175.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' HA ' HD22 ' A' ' 25' ' ' LEU . 27.2 p -82.19 -177.45 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -67.23 -9.79 44.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -102.18 -23.19 14.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -120.06 14.75 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.98 -34.78 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.42 152.25 94.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.732 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.8 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.66 -30.79 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -62.02 -46.68 88.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.5 p-80 -107.85 35.39 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' HIS . 5.1 t70 33.55 45.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 24.2 t -36.43 141.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.2 t -85.25 -31.53 23.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 t -42.82 166.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -100.58 -2.83 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -120.06 -41.75 2.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -112.04 -7.31 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 49.93 41.87 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -88.67 140.74 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -52.29 125.44 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.93 130.1 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -70.54 154.29 42.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -39.01 -40.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 29' ' ' GLN . 27.6 m -68.97 -46.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.502 ' N ' HG23 ' A' ' 28' ' ' VAL . 3.8 mm-40 -57.93 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.5 mt-30 -34.6 -32.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' GLN . 69.8 mm-40 -89.39 -47.43 8.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.79 -66.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.87 -33.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.4 p -42.27 151.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.53 179.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -90.07 -36.61 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -49.54 -44.95 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.0 27.38 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 70.7 m-85 -141.34 148.26 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.93 131.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -126.95 177.63 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.71 -178.39 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.17 -6.06 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.7 mt -102.74 -26.53 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -120.7 16.57 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.58 -30.73 67.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.9 mt -69.09 151.26 97.24 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.456 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.72 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -58.29 -24.18 58.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 21.9 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 31.8 p-80 -110.34 33.93 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' HIS . 11.8 m-20 34.45 46.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 t -38.22 140.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -84.12 -29.29 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 22' ' ' GLN . 32.8 t -55.18 165.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.08 -0.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -121.35 -42.29 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.84 -6.86 13.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 22.0 mp0 50.36 43.86 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.29 141.45 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -53.07 121.36 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.1 mt -102.97 116.84 33.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' GLN . 16.9 mp0 -60.91 154.71 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -52.98 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.7 p -63.0 -33.28 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLU . 13.0 mm100 -68.74 -65.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' GLN . 61.9 mt-30 -31.74 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLN . 37.6 mt-10 -75.56 -54.33 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 28' ' ' VAL . 10.8 mp -63.41 -64.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . -37.3 -38.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.813 ' HA ' HG22 ' A' ' 40' ' ' VAL . 11.5 p -38.0 156.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 0.0 110.828 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -132.29 179.5 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -86.84 -37.66 17.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 p -53.22 -43.1 66.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.66 26.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 59.6 m-85 -137.51 156.06 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.897 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 34' ' ' SER . 86.3 t -119.53 124.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -122.55 153.97 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 23.7 p -54.5 -176.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 ttp -73.7 -1.39 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -103.76 -33.86 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -104.91 -12.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -39.66 -36.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.1 mt -58.88 153.0 45.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.495 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.71 -48.72 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -58.98 -27.93 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 26.1 mm-40 -63.83 -43.11 97.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.9 p-80 -111.29 34.63 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 5.1 t70 34.39 43.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 12.2 t -34.39 142.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -92.26 -31.09 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -123.38 96.31 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 m -107.53 171.64 7.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.1 92.13 0.85 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -64.98 85.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -134.52 162.82 31.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.93 -117.02 4.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 p -142.84 142.67 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -122.25 86.79 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -117.11 178.06 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.68 -30.22 5.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.507 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 4.2 tp-100 -79.64 77.66 6.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.17 -44.97 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -133.7 94.98 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -41.07 -35.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.667 ' O ' HD12 ' A' ' 25' ' ' LEU . 17.8 ttp180 -40.06 -39.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -107.84 151.02 26.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 t -45.36 165.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.79 -2.34 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -117.71 -43.72 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.51 -11.85 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 55.33 39.94 31.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 t -86.44 161.6 18.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HE3' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -72.72 128.08 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 16' ' ' ARG . 10.0 mt -112.87 121.13 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -66.05 167.87 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.85 -40.37 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -71.01 -49.22 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' N ' HG13 ' A' ' 28' ' ' VAL . 2.3 mm-40 -54.67 -62.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.477 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 72.3 mt-30 -35.15 -35.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLN . 24.0 mm-40 -82.23 -50.8 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.22 -61.73 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.0 -43.76 8.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.22 150.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.05 -179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -88.85 -36.17 16.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 p -51.23 -43.6 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.03 23.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.4 m-85 -136.71 149.08 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 34' ' ' SER . 59.3 t -111.37 131.4 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.2 m-85 -124.91 -179.89 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' ARG . 27.3 p -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.1 ttp -64.94 -8.32 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.37 -28.78 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -117.1 15.19 15.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' CYS . 10.1 ptt180 -67.62 -35.97 79.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.417 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.5 mt -62.53 152.63 80.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.52 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.82 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -54.75 -29.6 54.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 16.3 mm-40 -63.47 -43.26 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.8 p-80 -111.23 35.26 3.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.4 m-20 33.65 46.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ASP . 26.5 t -36.5 139.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -83.64 -31.6 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -56.81 164.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -122.73 101.22 7.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -61.7 -37.58 84.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.6 mtt -75.37 84.63 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.16 -128.68 3.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 42.54 41.57 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.84 170.98 14.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t -140.68 152.91 45.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.28 -179.51 30.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 134.99 29.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -104.76 -48.08 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.7 t -57.3 129.69 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.471 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -167.44 121.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -159.97 132.92 6.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.0 151.13 21.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -99.77 143.39 30.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -115.31 85.72 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.19 54.73 4.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.0 p -148.81 105.57 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -94.67 107.85 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -128.16 46.1 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -45.86 -39.26 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 15' ' ' ARG . 4.2 tp-100 -86.07 78.17 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -42.12 78.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 m -133.67 99.8 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 26.9 mtt85 -40.13 -41.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 17.2 ttt180 -37.92 -41.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -100.21 156.79 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' HB2' HG22 ' A' ' 23' ' ' THR . 17.3 t -55.99 164.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.28 -2.78 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -116.0 -40.89 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -113.83 -11.4 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 56.58 44.25 24.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 18' ' ' CYS . 6.3 t -92.15 144.65 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -61.39 120.25 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 42' ' ' CYS . 16.1 mt -101.98 132.87 47.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.56 159.18 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -38.01 -54.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 29' ' ' GLN . 31.7 m -58.94 -48.14 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' N ' HG23 ' A' ' 28' ' ' VAL . 85.3 mm-40 -53.97 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 71.5 mt-30 -33.51 -38.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' GLN . 34.4 mm-40 -83.11 -47.62 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.0 mp -65.8 -66.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.4 -38.85 5.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.6 p -35.29 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.5 179.45 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -88.07 -37.2 16.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 p -50.79 -42.49 58.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.23 25.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.4 m-85 -136.55 151.14 49.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -113.13 129.55 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.722 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -123.6 175.15 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.4 p -83.82 177.54 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -63.56 -9.31 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.02 -27.93 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.0 16.82 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -66.98 -34.99 78.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.27 154.05 64.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.518 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.77 -51.0 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.383 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -58.4 -27.05 63.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.26 -41.54 99.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.5 p-80 -112.11 36.91 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' CYS . 22.6 t0 35.74 42.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ASP . 30.5 t -35.63 141.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -88.41 -32.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -54.59 171.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.22 89.34 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 48' ' ' PRO . 95.7 m-70 -70.48 169.44 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttt -67.47 84.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -163.8 -82.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -75.14 108.07 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.83 -86.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -94.95 -53.61 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.32 147.59 35.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 4.22 2.32 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.2 m -94.43 142.47 27.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -146.75 154.05 40.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.497 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -63.17 85.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -57.96 106.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.44 85.69 0.73 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -89.21 -52.53 5.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -170.53 136.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.48 43.62 0.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.9 p -102.47 144.94 30.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -113.45 82.55 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.8 m -163.76 121.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -54.5 -38.99 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 13' ' ' LYS . 2.3 tp-100 -56.03 109.63 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.8 -50.4 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.7 m -165.14 125.8 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.48 -41.54 20.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 9.8 ttm180 -41.16 -28.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -127.85 161.48 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.54 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 16.3 t -51.42 166.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.799 ' HA ' HE22 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -102.98 -6.77 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -117.59 -40.41 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -110.94 0.28 17.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.799 HE22 ' HA ' ' A' ' 19' ' ' PHE . 1.8 mp0 39.46 46.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.6 t -89.84 155.46 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -64.39 116.8 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 15' ' ' ARG . 11.9 mt -102.81 133.88 47.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -76.96 155.47 32.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -46.19 -39.2 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.78 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.7 p -75.63 -26.85 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 tm0? -78.45 -64.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLN . 76.1 mt-30 -33.26 -37.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 48.5 mm-40 -76.89 -51.03 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 28' ' ' VAL . 8.5 mp -64.96 -62.38 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.99 -34.7 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -39.26 148.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -120.63 178.75 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -87.03 -36.99 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 p -49.98 -42.69 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.95 22.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 73.8 m-85 -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.948 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t -116.54 127.4 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -125.36 172.91 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' ARG . 29.2 p -83.48 174.28 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.5 ttp -57.73 -14.64 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.14 -37.92 13.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -111.92 20.53 16.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' CYS . 3.8 ptm180 -71.4 -31.1 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 11.6 mt -67.32 153.28 95.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.75 -49.24 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -57.66 -28.32 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 15.8 mm-40 -64.04 -42.44 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.8 p-80 -111.5 35.44 3.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' HIS . 23.5 t0 34.43 44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' ASP . 33.6 t -34.35 143.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -90.3 -29.64 17.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.73 172.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.79 78.44 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -117.23 172.58 7.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.6 mtt -129.92 110.43 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.94 -47.34 7.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -112.67 137.19 51.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.32 160.97 3.31 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.1 t -83.18 82.15 8.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.06 -178.29 18.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.91 12.95 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.4 m -55.08 139.92 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 t -113.96 93.89 4.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -87.52 50.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -83.82 114.78 21.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.67 130.2 9.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 m -53.24 162.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -113.37 90.3 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.75 -162.03 24.9 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m -88.91 95.18 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -90.82 53.53 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 p -98.55 126.6 44.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 35.9 tttp -82.95 -27.08 30.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 5.0 tp-100 -78.73 71.03 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -56.82 -54.85 41.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 t -137.69 116.99 12.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.3 mtm-85 -48.23 -41.53 27.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -44.87 -38.04 4.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -104.22 141.55 36.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 t -42.69 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -103.29 -5.21 23.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -115.87 -41.98 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.45 -7.17 15.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 53.41 32.75 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -88.72 130.96 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.33 144.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.529 HD13 HG12 ' A' ' 40' ' ' VAL . 12.0 mt -123.38 118.1 26.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -49.68 150.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.626 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -40.2 -43.42 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 29' ' ' GLN . 9.3 p -72.74 -40.43 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' GLU . 6.9 mm100 -57.49 -60.02 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.4 mt-30 -35.1 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 29' ' ' GLN . 29.4 mt-10 -81.91 -54.74 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.14 -63.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -46.49 -39.26 10.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.45 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.2 p -35.66 151.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.68 178.58 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -86.54 -36.58 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 p -51.08 -42.08 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.16 24.7 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.05 150.04 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.922 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.529 HG12 HD13 ' A' ' 25' ' ' LEU . 92.7 t -111.31 128.87 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -125.08 176.51 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -84.84 -178.35 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 ttp -68.46 -2.13 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.63 -24.24 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -124.36 18.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -72.6 -27.04 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.38 151.33 94.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HB3' ' C ' ' A' ' 67' ' ' GLY . 16.4 pm0 -63.72 -17.56 63.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -77.3 -39.11 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.8 p-80 -114.49 32.82 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' HIS . 51.3 m-20 35.85 46.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 16.8 t -37.74 143.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -89.05 -26.23 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -61.35 166.14 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -131.49 86.64 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -42.18 134.34 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tpt -76.65 88.83 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.94 170.39 35.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -92.12 105.97 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.14 -128.19 6.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 t 47.78 40.95 13.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.11 -71.66 1.31 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 5.11 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 p 74.63 39.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.814 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.0 p -122.19 142.35 50.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' C ' ' HB3' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -154.25 176.04 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -137.62 151.81 48.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.64 -57.42 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -46.0 136.51 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -167.44 150.38 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.75 -121.28 1.07 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -44.43 104.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -84.53 88.39 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -104.96 161.93 13.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -99.08 -32.3 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.491 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.4 tp-100 -73.62 81.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -76.66 -52.84 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -130.33 104.47 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -46.53 -35.59 5.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' NE2' ' A' ' 30' ' ' GLN . 9.1 ttm-85 -46.39 -36.99 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -107.42 149.0 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 t -46.29 166.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.623 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -106.43 -5.59 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -111.87 -39.96 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -115.92 -11.32 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 56.53 43.62 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -92.85 143.11 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -55.06 128.05 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.37 125.92 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' GLN . 49.9 mt-10 -67.66 146.24 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -35.2 -41.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -70.15 -44.15 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.0 mm100 -60.99 -62.07 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' GLN . 36.4 mt-30 -34.28 -34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' GLN . 6.0 mm-40 -77.59 -53.65 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.52 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.81 -37.46 1.34 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 p -41.06 154.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.32 178.46 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -88.2 -35.9 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.34 23.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.59 150.44 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 0.0 110.916 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.85 129.46 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.09 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 30.0 p -88.24 174.39 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.3 ttp -58.23 -13.82 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -93.08 -37.42 12.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -112.87 22.84 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.6 ptm180 -75.89 -31.23 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 ' OE2' ' A' ' 49' ' ' GLU . 10.4 mt -66.69 151.59 96.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.74 -45.19 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 2.24 . . . . 0.0 112.404 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' OE2' HD22 ' A' ' 47' ' ' LEU . 13.7 pm0 -61.98 -22.78 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -71.69 -40.42 69.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.509 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.6 p-80 -112.73 33.53 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' HIS . 19.8 t70 34.66 46.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.9 t -37.87 138.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -81.94 -29.59 32.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -58.29 160.19 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -121.83 81.75 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -45.47 133.65 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 ttt -76.99 100.59 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.85 -167.48 38.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -100.62 -59.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.39 98.06 1.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.5 m -56.51 -48.93 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.55 110.48 0.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.9 24.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.303 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 t -120.27 87.66 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -131.01 -44.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.448 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 p -146.35 136.53 23.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -154.79 140.85 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.85 142.97 11.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -91.87 153.47 19.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 t -79.56 94.62 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.02 -63.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 m 49.14 44.93 23.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.819 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -93.51 48.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -147.1 135.56 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.69 -52.77 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 15' ' ' ARG . 13.4 tt0 -67.37 83.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -53.78 -42.06 67.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -149.36 115.54 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 21.6 mtt85 -39.48 -37.42 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -39.92 -42.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -105.05 151.35 24.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' HG22 ' A' ' 23' ' ' THR . 20.8 t -51.07 165.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.95 -3.02 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.497 ' OE1' ' CD2' ' A' ' 45' ' ' HIS . 5.4 tt0 -114.2 -40.21 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -118.19 -9.36 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 54.12 52.95 11.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.9 t -99.47 142.54 30.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -56.63 121.09 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -104.21 125.99 50.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.43 168.58 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.39 -40.12 61.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.08 -40.02 57.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.6 mm100 -62.75 -63.01 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' GLN . 32.3 mt-30 -33.71 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 45.4 mm-40 -80.85 -53.28 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.55 -61.72 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.59 -42.63 10.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.4 p -34.85 151.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.71 -178.97 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -88.58 -37.57 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.66 -42.38 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.67 21.13 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -132.46 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.01 126.64 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.3 m-85 -121.64 178.61 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.7 p -89.0 -179.99 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -64.93 -7.29 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.08 -32.8 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.497 ' CD2' ' OE1' ' A' ' 20' ' ' GLN . 35.7 m80 -116.23 22.59 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -75.26 -34.48 61.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.91 151.48 85.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.8 Cg_endo -69.71 -48.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -57.88 -26.74 62.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -66.48 -41.66 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.9 p-80 -113.08 34.07 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' HIS . 39.0 m-20 34.15 45.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.2 t -36.01 142.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 t -87.95 -27.67 21.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.57 165.32 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.37 116.6 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.57 41.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 tpp -94.35 -59.7 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.75 -54.21 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -165.44 106.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.05 -104.11 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.2 p -124.7 177.19 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.93 -93.04 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.41 10.08 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.9 p -107.07 42.29 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t 63.37 42.22 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.516 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 p 40.24 42.15 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -95.05 -43.9 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.3 -121.17 6.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -73.56 151.59 40.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 m -122.18 -58.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.7 -146.18 16.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -63.17 107.12 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.836 0.35 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -78.81 124.17 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.8 p -127.52 165.35 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 6.4 tptp -78.84 -64.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 15' ' ' ARG . 8.2 tt0 -52.52 97.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -12.84 53.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -168.52 112.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' O ' HD12 ' A' ' 25' ' ' LEU . 23.6 mtt85 -46.16 -33.93 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 13.9 ttp180 -44.08 -38.36 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -110.85 153.58 25.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 t -52.28 165.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.67 -4.04 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -114.82 -41.1 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -113.98 -9.43 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' NE2' ' HE3' ' A' ' 11' ' ' LYS . 50.7 mm-40 55.0 37.68 29.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 t -86.55 146.69 26.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -57.99 127.63 33.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 15' ' ' ARG . 13.2 mt -109.2 125.05 51.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLN . 1.9 mp0 -66.63 155.8 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -45.58 -39.48 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.623 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.6 p -76.63 -23.66 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.3 mm100 -78.76 -63.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 74.9 mt-30 -33.27 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 39.7 mm-40 -77.83 -53.26 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 28' ' ' VAL . 6.5 mp -62.05 -65.79 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.48 -40.42 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.4 p -36.4 153.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 t -130.05 177.33 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 57' ' ' HIS . 15.9 mtm180 -85.88 -33.7 21.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -51.04 -43.45 60.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.64 23.1 0.91 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 61.2 m-85 -136.19 149.86 48.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -112.03 131.01 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.34 -178.84 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.81 -178.35 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -68.69 -0.99 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -106.03 -31.11 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -119.35 21.89 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.68 -34.96 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -62.44 152.38 80.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.571 0.7 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.75 -47.61 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.97 -26.24 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -68.22 -41.07 81.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.0 p-80 -112.84 33.4 5.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 45.0 m-20 34.19 45.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 15.8 t -36.34 143.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -92.21 -29.91 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.02 179.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -133.93 83.89 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -105.79 -35.53 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.5 ttt -48.32 -52.59 20.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 43.8 74.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 130.43 47.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -166.84 -159.64 12.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.1 p -73.71 152.69 40.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.97 -100.06 1.92 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -14.42 36.04 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.639 2.226 . . . . 0.0 112.368 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 p -110.29 95.28 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t 66.37 43.05 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.473 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -122.29 119.52 31.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -84.05 42.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.83 97.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -67.14 107.47 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -166.47 162.05 16.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.1 128.83 5.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -119.75 98.2 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' SER . 7.8 ptm180 -128.95 -52.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 5.6 m -114.85 159.08 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -43.61 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.07 118.56 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -91.7 -33.95 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 m -158.86 113.79 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -42.83 -44.53 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -39.12 -37.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -108.9 155.07 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 t -52.64 165.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.03 -3.45 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.02 -42.88 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.79 -10.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 53.67 41.55 32.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.69 146.18 24.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -58.38 122.25 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD13 HG12 ' A' ' 40' ' ' VAL . 15.7 mt -103.12 118.66 37.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -61.69 157.34 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -41.06 -47.32 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.612 HG22 HD13 ' A' ' 32' ' ' LEU . 9.9 p -67.64 -41.91 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' N ' HG13 ' A' ' 28' ' ' VAL . 13.9 mm100 -58.97 -63.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.5 mt-30 -33.9 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.53 -49.38 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD13 HG22 ' A' ' 28' ' ' VAL . 9.3 mp -65.36 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.63 -41.11 6.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.19 150.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.876 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.24 179.96 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -88.12 -37.33 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -49.43 -44.45 45.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.41 25.86 0.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.8 m-85 -138.74 147.4 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.963 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 25' ' ' LEU . 65.2 t -107.49 131.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 4.7 m-85 -125.06 176.04 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.7 p -83.91 -180.0 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.5 ttp -66.33 -8.16 23.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.76 -25.71 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.77 20.14 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -72.72 -30.58 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.66 153.64 95.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.75 -50.33 0.48 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -55.09 -28.26 51.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -64.8 -43.37 93.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.5 p-80 -112.02 35.75 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' HIS . 9.3 t0 32.95 45.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.9 t -36.77 140.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.34 -30.36 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -57.8 163.17 2.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.8 83.58 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -42.22 -37.52 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.7 mtt -91.87 -49.56 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.63 126.26 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -151.38 144.23 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.33 83.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.2 t -114.73 -56.74 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.25 -93.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.558 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.4 12.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t 55.97 41.85 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.1 t -76.68 -47.13 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.53 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -44.99 -60.35 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -96.9 143.35 27.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.91 173.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -140.38 135.42 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 m -73.78 -55.87 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.8 153.86 36.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.3 m -155.28 125.04 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -102.1 85.82 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 m -130.3 51.52 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -29.0 58.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.486 ' NE2' ' HB2' ' A' ' 19' ' ' PHE . 4.0 tp-100 -87.28 51.09 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -54.34 -39.74 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 m -134.1 106.73 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -57.13 -39.23 74.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -41.89 -36.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -106.9 151.81 24.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' HB2' HG22 ' A' ' 23' ' ' THR . 15.7 t -47.54 165.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -104.42 -5.51 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -115.97 -38.33 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.45 -5.94 12.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 47.61 50.26 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.2 t -99.11 146.62 25.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -56.35 128.15 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.03 118.06 35.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' LEU . 3.3 mm-40 -59.32 151.42 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -33.55 -56.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.552 HG22 HD13 ' A' ' 32' ' ' LEU . 7.9 p -60.93 -46.54 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 28' ' ' VAL . 36.5 mm-40 -50.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' GLN . 65.9 mt-30 -34.47 -37.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' GLN . 13.3 mm-40 -78.76 -50.3 11.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 HG22 ' A' ' 28' ' ' VAL . 9.5 mp -65.64 -62.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.71 -41.11 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.7 p -36.23 148.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.834 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.6 179.97 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -88.62 -36.69 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -50.81 -42.91 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.12 24.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.615 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.9 m-85 -136.49 149.93 48.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.41 128.55 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -124.67 175.45 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ARG . 26.7 p -83.31 178.27 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.4 ttp -64.49 -9.14 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -100.81 -24.88 14.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -121.27 16.66 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.0 ptm180 -70.67 -33.5 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.29 152.63 88.09 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.642 0.734 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.2 Cg_endo -69.76 -49.79 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.31 -30.07 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -62.45 -43.07 99.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.0 p-80 -111.48 34.63 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 7.1 m-20 34.04 45.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.2 t -37.0 141.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -86.01 -27.02 25.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -61.2 171.75 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -131.62 79.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -40.04 131.63 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 tpp -44.99 145.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.2 108.45 3.24 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -57.3 -35.89 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 60' ' ' ARG . . . -82.99 153.29 30.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.5 m -124.64 149.28 47.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.97 -120.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.95 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.8 p -80.34 -44.11 20.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.0 p -125.15 123.95 40.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.53 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -111.5 119.55 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -107.76 173.0 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.76 50.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -64.08 98.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 t -124.92 103.42 8.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.11 73.47 0.87 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -113.69 140.88 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 72.76 41.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 m -95.01 106.56 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 5.9 tppt? -106.57 -24.84 12.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 19' ' ' PHE . 4.0 tp60 -75.82 128.24 34.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.48 -56.68 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.6 t -138.74 118.59 13.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 25' ' ' LEU . 35.9 mtm180 -51.43 -38.71 54.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -41.82 -30.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -119.27 152.21 37.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 t -48.6 165.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 13.3 t80 -105.29 2.3 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -124.28 -42.28 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.25 -10.98 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 55.07 43.24 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -90.53 154.44 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -63.22 126.69 28.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 15' ' ' ARG . 16.9 mt -109.37 118.24 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.46 151.89 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -38.38 -43.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -68.62 -46.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' HG13 ' A' ' 28' ' ' VAL . 11.6 mm100 -56.64 -62.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 72.9 mt-30 -33.36 -37.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 7.0 mm-40 -78.83 -53.11 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.59 -62.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.92 -42.18 2.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 4.7 p -35.16 152.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 t -126.36 178.07 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.91 -37.53 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -51.85 -42.98 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 25.17 0.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 19' ' ' PHE . 53.6 m-85 -135.63 158.74 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 34' ' ' SER . 43.5 t -120.14 128.42 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -128.78 153.79 47.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 p -54.99 -176.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.5 ttp -74.99 -0.67 19.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -104.66 -33.17 8.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -105.17 -10.58 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -42.35 -39.14 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 8.4 mt -56.05 152.78 20.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.711 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.473 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.69 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.27 -27.55 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 28.8 mm-40 -64.51 -44.23 91.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 33.3 p-80 -110.48 34.57 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' HIS . 4.1 t70 34.25 44.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -36.38 141.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -89.46 -29.36 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -60.08 179.75 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -131.91 91.53 2.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -63.53 -38.15 90.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.4 mmt -133.67 94.68 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 42.21 -116.85 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.03 121.72 46.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.16 142.92 16.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -108.16 122.22 46.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.955 0.407 . . . . 0.0 110.853 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.06 157.9 51.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 100.44 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -124.18 153.75 41.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.8 p -142.33 145.29 33.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.464 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -64.58 141.9 58.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -114.61 144.15 43.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.79 -42.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -136.52 140.87 43.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t 58.33 42.28 21.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.48 89.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.5 p -71.49 121.82 19.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -89.39 41.72 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.5 p -100.08 145.39 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 8.5 tppt? -84.66 -45.46 12.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -92.83 118.13 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -90.29 -46.36 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -119.17 147.31 44.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -81.85 42.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -122.0 -38.91 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' CYS . 34.4 mtm180 -103.45 137.23 41.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.9 t -41.59 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -102.87 -4.01 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.563 HE21 ' CD2' ' A' ' 45' ' ' HIS . 3.1 tt0 -116.8 -40.18 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.85 -11.77 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 55.91 44.27 26.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 18' ' ' CYS . 4.7 t -96.67 142.97 28.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 131.27 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.02 129.18 56.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.35 156.69 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.17 -43.31 2.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.776 ' O ' HD13 ' A' ' 32' ' ' LEU . 7.1 p -66.31 -39.78 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.73 -65.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.0 mt-30 -33.95 -41.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.75 -47.05 41.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 28' ' ' VAL . 11.1 mp -71.08 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.38 -38.8 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 6.4 p -36.64 151.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.57 178.82 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -87.13 -36.6 17.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -51.17 -42.49 60.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.86 25.47 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.743 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 51.3 m-85 -135.54 151.14 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t -114.47 126.45 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.1 m-85 -122.05 178.61 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.3 179.64 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.9 ttp -64.87 -7.75 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.48 -31.95 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' HE21 ' A' ' 20' ' ' GLN . 36.1 m80 -118.72 22.35 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -28.03 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.5 HD22 ' OE2' ' A' ' 49' ' ' GLU . 9.3 mt -68.44 155.93 91.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.49 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.78 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' OE2' HD22 ' A' ' 47' ' ' LEU . 5.2 pm0 -57.75 -27.16 62.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -64.86 -41.25 95.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.8 p-80 -113.31 35.16 4.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.3 m-20 34.71 43.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.5 t -34.54 143.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -90.33 -29.13 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -58.88 174.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.55 88.45 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 24.5 m-70 -59.28 92.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.6 tpp -77.96 -59.38 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.22 97.22 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -173.83 149.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.96 116.15 8.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.5 m -84.8 122.69 29.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -166.48 83.96 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 102.23 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.7 t 52.74 42.12 31.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -138.18 157.44 46.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.501 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -162.32 150.33 14.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -164.89 151.99 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.03 149.05 20.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -112.48 42.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.835 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -39.04 145.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 61.33 76.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.7 m -34.82 -39.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -83.62 55.92 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.6 p -97.53 106.63 18.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HG2' ' CE2' ' A' ' 19' ' ' PHE . 5.0 tptt -149.58 160.08 43.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.58 45.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -71.64 -34.59 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 m -127.62 99.8 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -49.76 -34.48 19.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.518 ' O ' HD12 ' A' ' 25' ' ' LEU . 43.7 ttt180 -55.99 -31.12 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -108.27 149.12 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.1 t -48.18 165.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.58 -3.2 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -119.37 -41.66 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.14 -4.66 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 46.65 40.43 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 4.9 t -84.3 153.1 23.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 125.62 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 16' ' ' ARG . 9.0 mt -111.87 121.76 45.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 12.4 mt-10 -68.03 155.65 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -41.8 -38.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.11 -39.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLU . 25.7 mm-40 -67.99 -63.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 42.3 mt-30 -31.1 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.8 mm-40 -73.82 -54.88 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.4 mp -64.85 -65.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.98 -41.82 1.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.9 p -38.91 151.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -124.9 179.08 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -88.31 -33.93 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 p -52.73 -44.09 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.96 25.32 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -138.07 150.89 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.7 127.23 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.11 174.56 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.4 p -82.96 177.0 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -63.55 -6.86 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.9 mt -102.95 -24.51 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -122.2 16.53 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -71.39 -35.07 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.98 151.98 84.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.512 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.74 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.4 -26.14 39.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.09 -42.57 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.6 p-80 -111.44 33.63 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' HIS . 10.6 m-20 34.67 47.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.1 t -37.79 140.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -88.6 -20.23 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -64.38 156.74 28.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -109.54 103.85 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -68.4 122.72 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -77.78 171.4 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.6 -40.53 2.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -75.64 90.18 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -119.71 -51.65 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -96.66 157.82 15.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.964 0.412 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.98 -173.94 22.15 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 160.04 51.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -105.46 42.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 t -105.69 149.96 25.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.071 -0.849 . . . . 0.0 112.523 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -164.86 154.87 13.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -119.96 -60.58 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.1 125.45 24.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 p -54.47 132.17 44.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -166.9 133.34 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.75 89.1 1.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -69.57 -49.22 56.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -127.29 118.05 23.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.0 p -81.69 172.48 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -82.26 -39.7 22.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -100.21 107.8 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -93.16 -37.56 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -123.52 143.79 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -89.14 46.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 9.3 ttm180 -117.83 -39.58 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -112.06 147.59 35.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 t -43.89 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.89 -4.42 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.29 -41.4 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLN . 24.5 p -113.18 0.65 14.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 4.0 mp0 38.13 50.39 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -95.55 144.48 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 123.93 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.83 121.82 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' GLN . 7.2 mm-40 -63.04 154.64 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.41 -38.22 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.535 ' O ' HD13 ' A' ' 32' ' ' LEU . 8.5 p -76.56 -26.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.0 mm100 -74.36 -62.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' GLN . 68.0 mt-30 -34.22 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.4 mt-10 -78.67 -52.08 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 28' ' ' VAL . 9.7 mp -64.11 -64.88 0.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.5 -39.69 4.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.9 p -34.74 151.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 -179.76 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -91.12 -35.82 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.7 p -52.15 -40.03 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.69 22.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 64.0 m-85 -134.51 151.41 51.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -113.91 124.41 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 4.1 m-85 -117.83 178.72 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.72 -177.56 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.0 ttp -68.49 -4.1 13.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -106.12 -24.97 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -120.71 12.24 11.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -63.45 -34.48 77.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.12 152.02 94.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.504 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.71 -50.9 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -54.29 -28.18 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.58 -44.43 86.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 23.8 p-80 -109.79 34.87 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 2.7 m-20 33.82 46.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.6 t -36.9 142.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.51 -27.87 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -58.61 153.88 15.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.82 49.01 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -41.1 -38.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.0 mmm -54.61 142.43 28.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.24 167.13 25.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -130.59 169.51 15.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.46 -102.22 0.18 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 t -87.27 94.74 9.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.89 113.49 2.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 65' ' ' SER . 53.8 Cg_endo -69.79 5.67 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -32.21 113.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.8 t -113.7 146.96 39.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.455 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -135.65 142.54 45.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -98.86 159.41 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.4 94.44 0.94 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -63.23 175.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -95.84 -61.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.47 168.57 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m -60.1 176.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -111.94 140.16 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -99.05 144.41 28.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 1.2 tpmp? -97.12 177.41 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 69.26 36.1 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -38.82 -38.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.6 m -160.88 110.09 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' ARG . 36.2 mtt-85 -35.9 -40.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -34.94 -45.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -105.83 151.97 23.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.8 t -48.1 163.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -104.36 -2.85 24.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -114.22 -43.22 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.94 -12.87 14.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 59.19 42.22 18.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.419 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.0 t -91.25 143.03 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -58.69 119.66 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mt -104.12 128.69 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' LEU . 5.2 mm-40 -83.27 160.35 21.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' GLU . 4.4 mm? -35.43 -38.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.52 -64.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLY . 84.0 mm-40 -58.03 -58.52 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 25' ' ' LEU . 81.4 mt-30 -31.66 -41.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.4 mm-40 -89.11 -46.0 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.38 -60.69 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' GLN . . . -50.31 -36.98 30.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLY . 31.0 p -37.57 154.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.91 178.23 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -88.95 -35.51 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.89 -41.23 45.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.8 21.64 1.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 69.8 m-85 -135.71 147.87 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 HD13 ' A' ' 25' ' ' LEU . 88.2 t -108.8 128.14 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.76 173.89 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.2 p -84.21 174.42 10.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ttp -59.17 -13.88 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.59 -38.14 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -111.36 22.32 15.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' CYS . 5.0 ptm180 -73.7 -31.34 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.31 152.81 93.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.489 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.79 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.63 2.22 . . . . 0.0 112.3 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.22 -27.36 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.01 -42.92 89.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.5 p-80 -111.26 33.42 4.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' HIS . 33.5 t70 34.71 47.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.5 t -39.37 141.11 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 t -87.52 -24.35 24.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.21 156.53 18.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -109.81 112.69 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -85.59 -37.87 19.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.3 108.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.61 -84.41 1.77 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -152.95 147.42 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -166.01 -150.63 6.38 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 t -116.85 128.38 55.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.33 173.31 19.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 148.08 64.54 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 t -97.64 83.12 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.0 t -75.21 88.24 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.461 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -70.02 137.62 51.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p 45.63 42.19 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.82 83.57 0.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -151.05 128.99 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 m -116.8 121.77 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.89 70.1 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 4.6 t -148.65 117.51 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 0.0 110.891 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 8' ' ' SER . 3.0 mpt_? -132.78 124.1 27.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.0 p -113.65 140.84 47.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -78.08 -35.11 49.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 8.0 tp-100 -74.85 79.4 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -69.08 -46.25 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.7 m -142.86 114.9 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 25' ' ' LEU . 39.9 mtm180 -49.93 -38.49 36.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HD3' ' CD ' ' A' ' 30' ' ' GLN . 8.9 tpp180 -40.22 -42.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 18' ' ' CYS . 46.2 mtm180 -105.99 143.39 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' ARG . 16.3 t -41.7 164.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -103.42 -4.49 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -114.96 -43.34 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.0 -9.56 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 56.36 38.4 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -94.29 135.12 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.58 143.81 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.519 HD13 HG12 ' A' ' 40' ' ' VAL . 18.3 mt -121.8 119.42 31.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' LEU . 70.0 mm-40 -57.41 149.79 19.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -36.67 -50.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -65.47 -44.56 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.471 ' N ' HG13 ' A' ' 28' ' ' VAL . 13.8 mm100 -54.94 -64.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 63.6 mt-30 -32.44 -38.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.7 mt-10 -75.28 -52.26 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.0 mp -65.67 -61.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.34 -41.24 6.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.2 p -37.13 150.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.833 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.86 -177.44 3.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -90.5 -36.94 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -51.59 -43.98 62.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.94 27.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.5 m-85 -137.96 150.04 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 HD13 ' A' ' 25' ' ' LEU . 89.1 t -110.72 129.02 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 5.0 m-85 -124.58 175.1 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.5 -179.56 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ttp -66.38 -8.6 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -101.95 -27.42 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -117.03 17.17 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -70.87 -34.84 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.85 152.16 91.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.71 -50.66 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.58 -28.55 46.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.0 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.5 p-80 -111.96 35.52 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t0 33.41 46.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 28.6 t -37.57 141.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -85.13 -31.59 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -56.95 164.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -119.88 108.11 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -74.29 161.92 29.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -52.42 -46.23 66.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.21 136.29 17.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -57.81 2.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 153.26 -128.1 2.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.6 p -174.06 132.37 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 43.95 -149.42 0.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.49 25.19 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.387 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.0 t -150.24 149.06 29.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 t -107.79 130.03 55.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.518 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -93.86 -48.83 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t 45.1 42.25 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.37 161.66 33.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -141.44 121.43 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -108.86 43.02 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.36 156.9 53.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.2 p -80.86 128.03 33.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -38.91 -59.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.9 p -165.6 128.1 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 31.2 tttp -61.24 -23.8 65.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -101.52 126.15 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -115.93 -41.25 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 m -130.43 137.32 49.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -79.11 45.99 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 19.0 ttm105 -122.88 -36.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -111.88 146.77 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB2' HG22 ' A' ' 23' ' ' THR . 18.2 t -46.85 164.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.19 -3.27 27.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -118.29 -42.7 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.1 -3.18 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 46.37 40.94 8.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.8 t -89.63 147.64 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -62.98 124.37 20.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 42' ' ' CYS . 15.6 mt -104.68 126.14 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.26 150.68 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -40.14 -38.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.9 p -76.78 -47.47 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.528 ' N ' HG13 ' A' ' 28' ' ' VAL . 4.0 tm0? -55.75 -56.26 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.2 mt-30 -32.74 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 12.2 mt-10 -82.38 -54.95 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -50.99 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.08 -39.83 5.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.2 p -33.8 145.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.903 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -124.23 173.41 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -78.66 -37.33 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 p -49.06 -43.69 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.75 24.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 48.9 m-85 -135.38 150.29 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.957 0.408 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.85 128.04 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -121.61 178.41 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.7 p -85.75 166.95 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.8 ttp -54.45 -14.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.37 -32.64 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -113.22 14.24 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' CYS . 4.0 ptm180 -63.61 -34.71 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.9 mt -63.69 152.25 86.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.79 -48.54 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -57.37 -26.64 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 44.6 mm-40 -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 22.8 p-80 -112.83 35.75 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.2 m-20 34.13 45.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASP . 34.7 t -35.77 141.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 t -88.7 -31.74 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -49.9 167.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -99.03 -34.33 10.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 63.64 44.38 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 mtt -50.55 169.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.5 -71.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -143.61 111.71 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.48 -83.36 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m 50.73 43.22 28.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.47 99.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.87 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 m -54.79 -44.96 74.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 t -82.03 96.37 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.487 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 58.95 43.83 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -90.89 -51.66 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.91 170.32 13.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -115.82 166.74 11.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -117.58 -48.82 2.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.42 179.32 53.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 p -100.84 99.33 9.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -91.15 112.28 24.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 m 53.12 49.94 18.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -43.87 31.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -74.11 115.14 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -35.78 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.1 p -159.32 126.69 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -49.18 -55.1 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' ARG . 29.9 mtt180 -32.8 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' ARG . 16.8 mtt85 -108.74 138.01 45.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' HB2' HG22 ' A' ' 23' ' ' THR . 22.4 t -44.1 165.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.42 -3.88 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -119.82 -41.39 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.06 -8.39 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.4 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 17.3 mm100 50.57 46.18 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.1 t -94.77 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.69 127.04 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 15' ' ' ARG . 9.3 mt -110.16 120.4 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLN . 27.3 mt-10 -53.04 145.25 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -36.7 -41.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.476 HG22 HD13 ' A' ' 32' ' ' LEU . 9.3 p -74.76 -38.72 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' GLU . 9.1 mm100 -57.8 -60.29 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' NE2' ' HG2' ' A' ' 16' ' ' ARG . 56.2 mt-30 -33.93 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' GLN . 5.8 mm-40 -78.74 -51.31 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG22 ' A' ' 28' ' ' VAL . 5.7 mp -63.72 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.04 -39.43 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.456 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 14.4 p -36.61 151.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.869 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.59 179.08 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.6 p -49.05 -44.53 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.09 25.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.6 m-85 -136.6 150.78 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.926 0.393 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.5 t -109.88 127.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.74 172.86 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.5 p -81.44 178.52 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 ttp -65.15 -6.86 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -101.76 -28.1 12.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -117.71 16.29 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.19 -32.83 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.82 151.9 94.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.7 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.89 -25.45 57.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.4 -42.26 79.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.6 p-80 -112.63 34.85 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.2 m-20 33.53 45.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.3 t -35.93 136.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -82.68 -31.23 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -54.5 164.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -113.72 49.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CD2' ' N ' ' A' ' 58' ' ' MET . 6.1 p-80 -96.86 -31.82 12.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 5.5 tmm? -43.76 115.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.61 -178.18 46.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -56.08 103.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.38 156.58 22.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 m -127.75 108.95 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.71 -152.52 6.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 88.65 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.737 2.291 . . . . 0.0 112.318 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.1 p -78.64 -52.93 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -67.2 107.09 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.509 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -127.47 99.94 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -150.36 130.52 13.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.61 178.05 17.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -139.59 122.01 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -93.01 -52.27 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.33 56.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.8 p -169.41 124.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -128.85 120.55 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.4 t -67.26 110.65 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -60.85 -46.42 90.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' NE2' ' H ' ' A' ' 40' ' ' VAL . 4.1 tp60 -58.66 110.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -90.38 -49.47 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -141.93 154.69 45.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -84.46 39.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -119.5 -39.34 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -110.72 144.11 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HB2' HG22 ' A' ' 23' ' ' THR . 18.1 t -42.68 166.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -102.82 -5.73 23.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -115.78 -42.73 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -110.89 -7.36 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 49.87 45.8 24.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.9 t -93.09 146.61 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -55.87 118.42 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 42' ' ' CYS . 10.6 mt -104.13 117.12 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 29' ' ' GLN . 9.0 pt-20 -61.03 156.87 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.36 -45.89 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 35.4 m -64.13 -34.3 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' GLU . 81.8 mm-40 -71.67 -64.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' GLN . 37.4 mt-30 -33.39 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.5 mm-40 -85.87 -52.59 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 28' ' ' VAL . 8.9 mp -65.67 -63.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.75 -38.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' HG22 ' A' ' 40' ' ' VAL . 10.8 p -37.27 149.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.14 -179.25 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -88.16 -37.71 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.99 -44.53 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.26 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.1 m-85 -138.25 155.01 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 34' ' ' SER . 83.6 t -113.54 130.72 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 7.6 m-85 -125.52 175.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' HA ' HD22 ' A' ' 25' ' ' LEU . 27.2 p -82.19 -177.45 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -67.23 -9.79 44.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -102.18 -23.19 14.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -120.06 14.75 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.98 -34.78 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.42 152.25 94.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.732 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.8 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.66 -30.79 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -62.02 -46.68 88.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.5 p-80 -107.85 35.39 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' HIS . 5.1 t70 33.55 45.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 24.2 t -36.43 141.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.2 t -85.25 -31.53 23.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -55.98 167.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -124.84 86.98 2.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -50.11 -39.34 42.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.8 mtp -74.45 -57.39 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.75 156.69 9.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 162.18 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.22 144.64 3.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 t 61.41 42.25 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.14 148.71 11.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.93 6.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -51.13 -61.08 2.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -113.7 164.81 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 p -169.72 132.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -113.59 146.19 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.66 98.97 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -91.55 116.02 28.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -132.7 122.63 24.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.5 -45.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -88.98 94.55 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.8 mtp85 -133.39 103.47 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.2 p -90.51 92.35 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -108.33 169.41 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' ' 40' ' ' VAL . 10.0 tp60 74.0 43.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -42.56 -38.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.4 m -151.91 161.2 43.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HG3' HG21 ' A' ' 40' ' ' VAL . 5.8 mpt_? -83.09 39.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -119.77 -39.41 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -109.11 136.58 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 t -42.82 166.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -100.58 -2.83 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -120.06 -41.75 2.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -112.04 -7.31 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 49.93 41.87 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -88.67 140.74 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -52.29 125.44 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.93 130.1 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -70.54 154.29 42.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -39.01 -40.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 29' ' ' GLN . 27.6 m -68.97 -46.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.502 ' N ' HG23 ' A' ' 28' ' ' VAL . 3.8 mm-40 -57.93 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' GLN . 38.1 mt-30 -34.6 -32.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' GLN . 69.8 mm-40 -89.39 -47.43 8.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.79 -66.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.87 -33.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.4 p -42.27 151.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.53 179.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -90.07 -36.61 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -49.54 -44.95 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.0 27.38 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 70.7 m-85 -141.34 148.26 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.461 HG21 ' HG3' ' A' ' 15' ' ' ARG . 65.1 t -107.93 131.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -126.95 177.63 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.71 -178.39 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.17 -6.06 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.7 mt -102.74 -26.53 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -120.7 16.57 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.58 -30.73 67.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.9 mt -69.09 151.26 97.24 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.456 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.72 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -58.29 -24.18 58.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 21.9 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 31.8 p-80 -110.34 33.93 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' HIS . 11.8 m-20 34.45 46.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 t -38.22 140.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -84.12 -29.29 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -58.94 173.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -125.9 81.85 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -56.26 143.37 34.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.2 mtm -107.57 163.34 13.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -174.18 -35.1 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' GLY . 18.7 ptt-85 35.11 45.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.4 -47.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.4 p -84.87 174.3 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.61 164.25 12.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 0.01 6.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 t -99.91 111.26 23.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.7 m -160.72 166.08 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.482 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 m -110.0 97.45 6.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -151.31 138.95 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.28 -68.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 p -80.04 117.57 20.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -124.95 140.15 53.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.94 -98.92 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.7 m -143.56 110.69 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 149.21 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t -147.18 150.05 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 -65.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -61.44 136.74 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -107.21 -33.42 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -148.62 118.51 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.856 ' O ' HD12 ' A' ' 25' ' ' LEU . 12.7 mmp_? -43.98 -36.51 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -41.04 -35.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -112.22 151.12 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 22' ' ' GLN . 32.8 t -55.18 165.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.08 -0.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -121.35 -42.29 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.84 -6.86 13.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 22.0 mp0 50.36 43.86 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.29 141.45 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -53.07 121.36 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 15' ' ' ARG . 17.1 mt -102.97 116.84 33.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' GLN . 16.9 mp0 -60.91 154.71 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -52.98 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.7 p -63.0 -33.28 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLU . 13.0 mm100 -68.74 -65.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' GLN . 61.9 mt-30 -31.74 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLN . 37.6 mt-10 -75.56 -54.33 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 28' ' ' VAL . 10.8 mp -63.41 -64.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . -37.3 -38.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.813 ' HA ' HG22 ' A' ' 40' ' ' VAL . 11.5 p -38.0 156.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 0.0 110.828 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -132.29 179.5 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -86.84 -37.66 17.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 p -53.22 -43.1 66.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.66 26.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 59.6 m-85 -137.51 156.06 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.897 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 34' ' ' SER . 86.3 t -119.53 124.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -122.55 153.97 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 23.7 p -54.5 -176.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 ttp -73.7 -1.39 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -103.76 -33.86 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -104.91 -12.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -39.66 -36.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.1 mt -58.88 153.0 45.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.495 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.71 -48.72 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -58.98 -27.93 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 26.1 mm-40 -63.83 -43.11 97.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.9 p-80 -111.29 34.63 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 5.1 t70 34.39 43.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 12.2 t -34.39 142.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -92.26 -31.09 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 13.6 t80 -48.66 154.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -83.9 -31.52 25.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 55' ' ' PHE . 79.1 m-70 58.73 45.82 15.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.6 ptm -41.28 157.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.0 -47.2 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -111.93 127.49 55.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.34 -160.5 32.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -97.33 153.51 18.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.06 175.59 37.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 90.33 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -72.71 -45.3 59.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 t 54.98 42.31 31.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.443 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 t -45.36 165.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.79 -2.34 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -117.71 -43.72 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.51 -11.85 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 55.33 39.94 31.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 t -86.44 161.6 18.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HE3' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -72.72 128.08 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.87 121.13 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -66.05 167.87 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.85 -40.37 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -71.01 -49.22 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' N ' HG13 ' A' ' 28' ' ' VAL . 2.3 mm-40 -54.67 -62.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' GLN . 72.3 mt-30 -35.15 -35.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLN . 24.0 mm-40 -82.23 -50.8 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.22 -61.73 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.0 -43.76 8.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.22 150.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.05 -179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -88.85 -36.17 16.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 p -51.23 -43.6 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.03 23.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.4 m-85 -136.71 149.08 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 34' ' ' SER . 59.3 t -111.37 131.4 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.2 m-85 -124.91 -179.89 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' ARG . 27.3 p -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.1 ttp -64.94 -8.32 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.37 -28.78 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -117.1 15.19 15.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' CYS . 10.1 ptt180 -67.62 -35.97 79.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.417 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.5 mt -62.53 152.63 80.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.52 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.82 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -54.75 -29.6 54.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.417 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 16.3 mm-40 -63.47 -43.26 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.8 p-80 -111.23 35.26 3.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.4 m-20 33.65 46.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ASP . 26.5 t -36.5 139.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -83.64 -31.6 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' HB2' HG22 ' A' ' 23' ' ' THR . 17.3 t -55.99 164.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.28 -2.78 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -116.0 -40.89 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -113.83 -11.4 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 56.58 44.25 24.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 18' ' ' CYS . 6.3 t -92.15 144.65 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -61.39 120.25 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 42' ' ' CYS . 16.1 mt -101.98 132.87 47.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.56 159.18 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -38.01 -54.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 29' ' ' GLN . 31.7 m -58.94 -48.14 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' N ' HG23 ' A' ' 28' ' ' VAL . 25.6 mm100 -53.97 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' GLN . 71.5 mt-30 -33.51 -38.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' GLN . 34.4 mm-40 -83.11 -47.62 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.0 mp -65.8 -66.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.4 -38.85 5.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.6 p -35.29 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.5 179.45 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -88.07 -37.2 16.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 p -50.79 -42.49 58.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.23 25.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.4 m-85 -136.55 151.14 49.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -113.13 129.55 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.722 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -123.6 175.15 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.4 p -83.82 177.54 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -63.56 -9.31 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.02 -27.93 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.0 16.82 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -66.98 -34.99 78.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.27 154.05 64.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.518 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.77 -51.0 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.383 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -58.4 -27.05 63.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.26 -41.54 99.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.5 p-80 -112.11 36.91 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' CYS . 22.6 t0 35.74 42.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ASP . 30.5 t -35.63 141.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -88.41 -32.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.48 ' HB2' HG22 ' A' ' 23' ' ' THR . 16.3 t -51.42 166.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.63 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.98 -6.77 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -117.59 -40.41 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -110.94 0.28 17.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.59 ' N ' ' NE2' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 39.46 46.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.6 t -89.84 155.46 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -64.39 116.8 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 18' ' ' CYS . 11.9 mt -102.81 133.88 47.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -76.96 155.47 32.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -46.19 -39.2 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.78 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.7 p -75.63 -26.85 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 tm0? -78.45 -64.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLN . 76.1 mt-30 -33.26 -37.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 48.5 mm-40 -76.89 -51.03 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 28' ' ' VAL . 8.5 mp -64.96 -62.38 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.99 -34.7 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -39.26 148.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -120.63 178.75 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -87.03 -36.99 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 p -49.98 -42.69 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.95 22.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 73.8 m-85 -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.948 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t -116.54 127.4 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -125.36 172.91 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' ARG . 29.2 p -83.48 174.28 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.5 ttp -57.73 -14.64 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.14 -37.92 13.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -111.92 20.53 16.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' CYS . 3.8 ptm180 -71.4 -31.1 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 11.6 mt -67.32 153.28 95.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.75 -49.24 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -57.66 -28.32 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 15.8 mm-40 -64.04 -42.44 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.8 p-80 -111.5 35.44 3.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' HIS . 23.5 t0 34.43 44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' ASP . 33.6 t -34.35 143.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -90.3 -29.64 17.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 t -42.69 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -103.29 -5.21 23.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -115.87 -41.98 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.45 -7.17 15.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 53.41 32.75 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -88.72 130.96 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.33 144.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.529 HD13 HG12 ' A' ' 40' ' ' VAL . 12.0 mt -123.38 118.1 26.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -49.68 150.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.626 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -40.2 -43.42 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 29' ' ' GLN . 9.3 p -72.74 -40.43 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' GLU . 6.9 mm100 -57.49 -60.02 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.4 mt-30 -35.1 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 29' ' ' GLN . 29.4 mt-10 -81.91 -54.74 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.14 -63.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -46.49 -39.26 10.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.45 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.2 p -35.66 151.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.68 178.58 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -86.54 -36.58 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 p -51.08 -42.08 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.16 24.7 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.05 150.04 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.922 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.529 HG12 HD13 ' A' ' 25' ' ' LEU . 92.7 t -111.31 128.87 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -125.08 176.51 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -84.84 -178.35 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 ttp -68.46 -2.13 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.63 -24.24 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -124.36 18.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -72.6 -27.04 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.38 151.33 94.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -63.72 -17.56 63.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -77.3 -39.11 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.8 p-80 -114.49 32.82 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' HIS . 51.3 m-20 35.85 46.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 16.8 t -37.74 143.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -89.05 -26.23 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 t -46.29 166.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.623 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -106.43 -5.59 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.442 HE22 ' CB ' ' A' ' 51' ' ' HIS . 2.4 tt0 -111.87 -39.96 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -115.92 -11.32 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 56.53 43.62 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -92.85 143.11 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -55.06 128.05 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.37 125.92 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' GLN . 49.9 mt-10 -67.66 146.24 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -35.2 -41.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -70.15 -44.15 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.0 mm100 -60.99 -62.07 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' GLN . 73.1 mt-30 -34.28 -34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' GLN . 6.0 mm-40 -77.59 -53.65 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.52 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.81 -37.46 1.34 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 p -41.06 154.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.32 178.46 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -88.2 -35.9 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.34 23.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.59 150.44 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 0.0 110.916 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.85 129.46 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.09 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 30.0 p -88.24 174.39 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.3 ttp -58.23 -13.82 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -93.08 -37.42 12.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -112.87 22.84 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.6 ptm180 -75.89 -31.23 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 ' OE2' ' A' ' 49' ' ' GLU . 10.4 mt -66.69 151.59 96.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.74 -45.19 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 2.24 . . . . 0.0 112.404 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' OE2' HD22 ' A' ' 47' ' ' LEU . 13.7 pm0 -61.98 -22.78 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -71.69 -40.42 69.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.509 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.6 p-80 -112.73 33.53 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' HIS . 19.8 t70 34.66 46.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.9 t -37.87 138.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -81.94 -29.59 32.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' HG22 ' A' ' 23' ' ' THR . 20.8 t -51.07 165.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.95 -3.02 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.497 ' OE1' ' CD2' ' A' ' 45' ' ' HIS . 5.4 tt0 -114.2 -40.21 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -118.19 -9.36 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 54.12 52.95 11.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.9 t -99.47 142.54 30.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -56.63 121.09 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -104.21 125.99 50.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.43 168.58 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.39 -40.12 61.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.08 -40.02 57.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.6 mm100 -62.75 -63.01 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' GLN . 32.3 mt-30 -33.71 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 45.4 mm-40 -80.85 -53.28 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.55 -61.72 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.59 -42.63 10.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.4 p -34.85 151.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.71 -178.97 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -88.58 -37.57 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.66 -42.38 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.67 21.13 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -132.46 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.01 126.64 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.3 m-85 -121.64 178.61 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.7 p -89.0 -179.99 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -64.93 -7.29 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.08 -32.8 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.497 ' CD2' ' OE1' ' A' ' 20' ' ' GLN . 35.7 m80 -116.23 22.59 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -75.26 -34.48 61.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.91 151.48 85.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.8 Cg_endo -69.71 -48.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -57.88 -26.74 62.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -66.48 -41.66 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.9 p-80 -113.08 34.07 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' HIS . 39.0 m-20 34.15 45.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.2 t -36.01 142.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 t -87.95 -27.67 21.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.875 0.369 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 t -52.28 165.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.67 -4.04 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -114.82 -41.1 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -113.98 -9.43 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 55.0 37.68 29.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 t -86.55 146.69 26.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -57.99 127.63 33.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 mt -109.2 125.05 51.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLN . 1.9 mp0 -66.63 155.8 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -45.58 -39.48 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.623 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.6 p -76.63 -23.66 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.3 mm100 -78.76 -63.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 29' ' ' GLN . 74.9 mt-30 -33.27 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 39.7 mm-40 -77.83 -53.26 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 28' ' ' VAL . 6.5 mp -62.05 -65.79 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.48 -40.42 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.4 p -36.4 153.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 t -130.05 177.33 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -85.88 -33.7 21.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -51.04 -43.45 60.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.64 23.1 0.91 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 61.2 m-85 -136.19 149.86 48.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -112.03 131.01 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.34 -178.84 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.81 -178.35 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -68.69 -0.99 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -106.03 -31.11 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -119.35 21.89 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.68 -34.96 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -62.44 152.38 80.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.571 0.7 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.75 -47.61 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.97 -26.24 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -68.22 -41.07 81.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.0 p-80 -112.84 33.4 5.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 45.0 m-20 34.19 45.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 15.8 t -36.34 143.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -92.21 -29.91 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 t -52.64 165.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.03 -3.45 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.02 -42.88 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.79 -10.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 53.67 41.55 32.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.69 146.18 24.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -58.38 122.25 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.477 HD13 HG12 ' A' ' 40' ' ' VAL . 15.7 mt -103.12 118.66 37.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -61.69 157.34 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -41.06 -47.32 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.612 HG22 HD13 ' A' ' 32' ' ' LEU . 9.9 p -67.64 -41.91 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' N ' HG13 ' A' ' 28' ' ' VAL . 13.9 mm100 -58.97 -63.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.5 mt-30 -33.9 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.53 -49.38 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD13 HG22 ' A' ' 28' ' ' VAL . 9.3 mp -65.36 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.63 -41.11 6.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.19 150.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.876 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.24 179.96 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -88.12 -37.33 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -49.43 -44.45 45.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.41 25.86 0.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.8 m-85 -138.74 147.4 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.963 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 25' ' ' LEU . 65.2 t -107.49 131.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 4.7 m-85 -125.06 176.04 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.7 p -83.91 -180.0 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.5 ttp -66.33 -8.16 23.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.76 -25.71 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.77 20.14 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -72.72 -30.58 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.66 153.64 95.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.75 -50.33 0.48 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -55.09 -28.26 51.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -64.8 -43.37 93.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.5 p-80 -112.02 35.75 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' HIS . 9.3 t0 32.95 45.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.9 t -36.77 140.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.34 -30.36 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' HB2' HG22 ' A' ' 23' ' ' THR . 15.7 t -47.54 165.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -104.42 -5.51 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -115.97 -38.33 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.45 -5.94 12.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 47.61 50.26 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.2 t -99.11 146.62 25.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -56.35 128.15 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.03 118.06 35.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' LEU . 3.3 mm-40 -59.32 151.42 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -33.55 -56.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.552 HG22 HD13 ' A' ' 32' ' ' LEU . 7.9 p -60.93 -46.54 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 28' ' ' VAL . 12.2 mm100 -50.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' GLN . 65.9 mt-30 -34.47 -37.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' GLN . 13.3 mm-40 -78.76 -50.3 11.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 HG22 ' A' ' 28' ' ' VAL . 9.5 mp -65.64 -62.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.71 -41.11 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.7 p -36.23 148.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.834 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.6 179.97 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -88.62 -36.69 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -50.81 -42.91 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.12 24.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.615 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.9 m-85 -136.49 149.93 48.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.41 128.55 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -124.67 175.45 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ARG . 26.7 p -83.31 178.27 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.402 ' N ' HE22 ' A' ' 29' ' ' GLN . 10.4 ttp -64.49 -9.14 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -100.81 -24.88 14.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -121.27 16.66 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.0 ptm180 -70.67 -33.5 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.29 152.63 88.09 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.642 0.734 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.2 Cg_endo -69.76 -49.79 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.31 -30.07 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -62.45 -43.07 99.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.0 p-80 -111.48 34.63 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 7.1 m-20 34.04 45.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.2 t -37.0 141.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -86.01 -27.02 25.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.86 0.362 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 t -48.6 165.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 13.3 t80 -105.29 2.3 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -124.28 -42.28 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.25 -10.98 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 55.07 43.24 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -90.53 154.44 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -63.22 126.69 28.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.9 mt -109.37 118.24 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.46 151.89 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -38.38 -43.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -68.62 -46.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' HG13 ' A' ' 28' ' ' VAL . 11.6 mm100 -56.64 -62.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 72.9 mt-30 -33.36 -37.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 7.0 mm-40 -78.83 -53.11 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.59 -62.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.92 -42.18 2.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 4.7 p -35.16 152.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 t -126.36 178.07 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.91 -37.53 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -51.85 -42.98 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 25.17 0.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 19' ' ' PHE . 53.6 m-85 -135.63 158.74 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 34' ' ' SER . 43.5 t -120.14 128.42 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -128.78 153.79 47.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 p -54.99 -176.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.5 ttp -74.99 -0.67 19.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -104.66 -33.17 8.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -105.17 -10.58 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -42.35 -39.14 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 8.4 mt -56.05 152.78 20.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.711 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.473 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.69 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.27 -27.55 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 28.8 mm-40 -64.51 -44.23 91.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 33.3 p-80 -110.48 34.57 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' HIS . 4.1 t70 34.25 44.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -36.38 141.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -89.46 -29.36 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' CYS . 34.4 mtm180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.9 t -41.59 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -102.87 -4.01 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.563 HE21 ' CD2' ' A' ' 45' ' ' HIS . 3.1 tt0 -116.8 -40.18 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.85 -11.77 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 55.91 44.27 26.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 18' ' ' CYS . 4.7 t -96.67 142.97 28.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 131.27 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.02 129.18 56.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.35 156.69 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.17 -43.31 2.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.776 ' O ' HD13 ' A' ' 32' ' ' LEU . 7.1 p -66.31 -39.78 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.73 -65.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.0 mt-30 -33.95 -41.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.75 -47.05 41.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 28' ' ' VAL . 11.1 mp -71.08 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.38 -38.8 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 6.4 p -36.64 151.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.57 178.82 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -87.13 -36.6 17.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -51.17 -42.49 60.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.86 25.47 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.743 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 51.3 m-85 -135.54 151.14 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t -114.47 126.45 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.1 m-85 -122.05 178.61 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.3 179.64 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.9 ttp -64.87 -7.75 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.48 -31.95 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' HE21 ' A' ' 20' ' ' GLN . 36.1 m80 -118.72 22.35 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -28.03 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD22 ' OE2' ' A' ' 49' ' ' GLU . 9.3 mt -68.44 155.93 91.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.49 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.78 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.509 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 5.2 pm0 -57.75 -27.16 62.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.509 ' NE2' ' HG2' ' A' ' 49' ' ' GLU . 1.2 mp0 -64.86 -41.25 95.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.8 p-80 -113.31 35.16 4.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.3 m-20 34.71 43.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.5 t -34.54 143.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -90.33 -29.13 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.1 t -48.18 165.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.58 -3.2 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -119.37 -41.66 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.14 -4.66 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 46.65 40.43 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 4.9 t -84.3 153.1 23.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 125.62 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.0 mt -111.87 121.76 45.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 12.4 mt-10 -68.03 155.65 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -41.8 -38.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.11 -39.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.1 mm100 -67.99 -63.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 42.3 mt-30 -31.1 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.8 mm-40 -73.82 -54.88 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.4 mp -64.85 -65.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.98 -41.82 1.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.9 p -38.91 151.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -124.9 179.08 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -88.31 -33.93 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 p -52.73 -44.09 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.96 25.32 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -138.07 150.89 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.7 127.23 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.11 174.56 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.4 p -82.96 177.0 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.414 ' N ' HE22 ' A' ' 29' ' ' GLN . 5.5 tmm? -63.55 -6.86 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.9 mt -102.95 -24.51 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -122.2 16.53 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -71.39 -35.07 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.98 151.98 84.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.512 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.74 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.4 -26.14 39.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.09 -42.57 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.6 p-80 -111.44 33.63 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' HIS . 10.6 m-20 34.67 47.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.1 t -37.79 140.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -88.6 -20.23 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 t -43.89 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.89 -4.42 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.29 -41.4 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLN . 24.5 p -113.18 0.65 14.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 13.8 mp0 38.13 50.39 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -95.55 144.48 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 123.93 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.83 121.82 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' GLN . 7.2 mm-40 -63.04 154.64 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.41 -38.22 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.535 ' O ' HD13 ' A' ' 32' ' ' LEU . 8.5 p -76.56 -26.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.0 mm100 -74.36 -62.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' GLN . 68.0 mt-30 -34.22 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.4 mt-10 -78.67 -52.08 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 28' ' ' VAL . 9.7 mp -64.11 -64.88 0.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.5 -39.69 4.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.9 p -34.74 151.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 -179.76 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -91.12 -35.82 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.7 p -52.15 -40.03 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.69 22.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 64.0 m-85 -134.51 151.41 51.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -113.91 124.41 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 4.1 m-85 -117.83 178.72 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.72 -177.56 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.0 ttp -68.49 -4.1 13.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -106.12 -24.97 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -120.71 12.24 11.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -63.45 -34.48 77.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.12 152.02 94.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.504 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.71 -50.9 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -54.29 -28.18 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.58 -44.43 86.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 23.8 p-80 -109.79 34.87 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 2.7 m-20 33.82 46.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.6 t -36.9 142.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.51 -27.87 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.8 t -48.1 163.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -104.36 -2.85 24.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -114.22 -43.22 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.94 -12.87 14.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 59.19 42.22 18.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.419 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.0 t -91.25 143.03 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -58.69 119.66 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mt -104.12 128.69 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' LEU . 5.2 mm-40 -83.27 160.35 21.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' GLU . 4.4 mm? -35.43 -38.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.52 -64.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLY . 28.1 mm100 -58.03 -58.52 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 25' ' ' LEU . 81.4 mt-30 -31.66 -41.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.4 mm-40 -89.11 -46.0 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.38 -60.69 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' GLN . . . -50.31 -36.98 30.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLY . 31.0 p -37.57 154.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.91 178.23 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -88.95 -35.51 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.89 -41.23 45.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.8 21.64 1.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 69.8 m-85 -135.71 147.87 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 HD13 ' A' ' 25' ' ' LEU . 88.2 t -108.8 128.14 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.76 173.89 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.2 p -84.21 174.42 10.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ttp -59.17 -13.88 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.59 -38.14 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -111.36 22.32 15.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' CYS . 5.0 ptm180 -73.7 -31.34 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.31 152.81 93.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.489 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.79 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.63 2.22 . . . . 0.0 112.3 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.22 -27.36 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.01 -42.92 89.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.5 p-80 -111.26 33.42 4.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' HIS . 33.5 t70 34.71 47.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.5 t -39.37 141.11 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 t -87.52 -24.35 24.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 18' ' ' CYS . 46.2 mtm180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' ARG . 16.3 t -41.7 164.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -103.42 -4.49 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -114.96 -43.34 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.0 -9.56 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 56.36 38.4 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -94.29 135.12 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.58 143.81 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.519 HD13 HG12 ' A' ' 40' ' ' VAL . 18.3 mt -121.8 119.42 31.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' LEU . 70.0 mm-40 -57.41 149.79 19.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -36.67 -50.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -65.47 -44.56 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.471 ' N ' HG13 ' A' ' 28' ' ' VAL . 13.8 mm100 -54.94 -64.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 63.6 mt-30 -32.44 -38.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.7 mt-10 -75.28 -52.26 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.0 mp -65.67 -61.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.34 -41.24 6.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.2 p -37.13 150.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.833 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.86 -177.44 3.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -90.5 -36.94 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -51.59 -43.98 62.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.94 27.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.5 m-85 -137.96 150.04 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 HD13 ' A' ' 25' ' ' LEU . 89.1 t -110.72 129.02 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 5.0 m-85 -124.58 175.1 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.5 -179.56 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ttp -66.38 -8.6 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -101.95 -27.42 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -117.03 17.17 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -70.87 -34.84 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.85 152.16 91.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.71 -50.66 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.58 -28.55 46.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.0 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.5 p-80 -111.96 35.52 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t0 33.41 46.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 28.6 t -37.57 141.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -85.13 -31.59 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.903 0.382 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB2' HG22 ' A' ' 23' ' ' THR . 18.2 t -46.85 164.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.19 -3.27 27.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -118.29 -42.7 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.1 -3.18 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 46.37 40.94 8.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.8 t -89.63 147.64 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -62.98 124.37 20.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 42' ' ' CYS . 15.6 mt -104.68 126.14 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.26 150.68 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -40.14 -38.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.9 p -76.78 -47.47 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.528 ' N ' HG13 ' A' ' 28' ' ' VAL . 4.0 tm0? -55.75 -56.26 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.2 mt-30 -32.74 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 12.2 mt-10 -82.38 -54.95 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -50.99 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.08 -39.83 5.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.2 p -33.8 145.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.903 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -124.23 173.41 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -78.66 -37.33 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 p -49.06 -43.69 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.75 24.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 48.9 m-85 -135.38 150.29 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.957 0.408 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.85 128.04 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -121.61 178.41 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.7 p -85.75 166.95 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.8 ttp -54.45 -14.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.37 -32.64 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -113.22 14.24 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' CYS . 4.0 ptm180 -63.61 -34.71 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.9 mt -63.69 152.25 86.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.79 -48.54 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -57.37 -26.64 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 44.6 mm-40 -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 22.8 p-80 -112.83 35.75 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.2 m-20 34.13 45.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASP . 34.7 t -35.77 141.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 t -88.7 -31.74 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' HB2' HG22 ' A' ' 23' ' ' THR . 22.4 t -44.1 165.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.42 -3.88 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -119.82 -41.39 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.06 -8.39 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.4 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 68.4 mm-40 50.57 46.18 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.1 t -94.77 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.69 127.04 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -110.16 120.4 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLN . 27.3 mt-10 -53.04 145.25 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -36.7 -41.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.476 HG22 HD13 ' A' ' 32' ' ' LEU . 9.3 p -74.76 -38.72 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' GLU . 9.1 mm100 -57.8 -60.29 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.2 mt-30 -33.93 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' GLN . 5.8 mm-40 -78.74 -51.31 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG22 ' A' ' 28' ' ' VAL . 5.7 mp -63.72 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.04 -39.43 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.456 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 14.4 p -36.61 151.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.869 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.59 179.08 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.6 p -49.05 -44.53 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.09 25.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.6 m-85 -136.6 150.78 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.926 0.393 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.5 t -109.88 127.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.74 172.86 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.5 p -81.44 178.52 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 ttp -65.15 -6.86 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -101.76 -28.1 12.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -117.71 16.29 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.19 -32.83 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.82 151.9 94.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.7 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.89 -25.45 57.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.4 -42.26 79.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.6 p-80 -112.63 34.85 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.2 m-20 33.53 45.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.3 t -35.93 136.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -82.68 -31.23 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HB2' HG22 ' A' ' 23' ' ' THR . 18.1 t -42.68 166.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -102.82 -5.73 23.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -115.78 -42.73 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -110.89 -7.36 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 49.87 45.8 24.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.9 t -93.09 146.61 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -55.87 118.42 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 42' ' ' CYS . 10.6 mt -104.13 117.12 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 29' ' ' GLN . 9.0 pt-20 -61.03 156.87 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.36 -45.89 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 35.4 m -64.13 -34.3 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' GLU . 26.0 mm100 -71.67 -64.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' GLN . 37.4 mt-30 -33.39 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.5 mm-40 -85.87 -52.59 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 28' ' ' VAL . 8.9 mp -65.67 -63.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.75 -38.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' HG22 ' A' ' 40' ' ' VAL . 10.8 p -37.27 149.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.14 -179.25 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -88.16 -37.71 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.99 -44.53 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.26 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.1 m-85 -138.25 155.01 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 34' ' ' SER . 83.6 t -113.54 130.72 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 7.6 m-85 -125.52 175.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' HA ' HD22 ' A' ' 25' ' ' LEU . 27.2 p -82.19 -177.45 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -67.23 -9.79 44.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -102.18 -23.19 14.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -120.06 14.75 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.98 -34.78 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.42 152.25 94.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.732 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.8 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.66 -30.79 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -62.02 -46.68 88.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.5 p-80 -107.85 35.39 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' HIS . 5.1 t70 33.55 45.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 24.2 t -36.43 141.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.2 t -85.25 -31.53 23.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 t -42.82 166.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -100.58 -2.83 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -120.06 -41.75 2.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -112.04 -7.31 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 49.93 41.87 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -88.67 140.74 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -52.29 125.44 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.93 130.1 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -70.54 154.29 42.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -39.01 -40.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 29' ' ' GLN . 27.6 m -68.97 -46.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.502 ' N ' HG23 ' A' ' 28' ' ' VAL . 3.8 mm-40 -57.93 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.5 mt-30 -34.6 -32.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' GLN . 69.8 mm-40 -89.39 -47.43 8.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.79 -66.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.87 -33.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.4 p -42.27 151.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.53 179.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -90.07 -36.61 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -49.54 -44.95 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.0 27.38 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 70.7 m-85 -141.34 148.26 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.1 t -107.93 131.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -126.95 177.63 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.71 -178.39 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.17 -6.06 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.7 mt -102.74 -26.53 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -120.7 16.57 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.58 -30.73 67.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.9 mt -69.09 151.26 97.24 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.456 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.72 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -58.29 -24.18 58.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 21.9 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 31.8 p-80 -110.34 33.93 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' HIS . 11.8 m-20 34.45 46.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 t -38.22 140.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -84.12 -29.29 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 22' ' ' GLN . 32.8 t -55.18 165.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.08 -0.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -121.35 -42.29 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.84 -6.86 13.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 22.0 mp0 50.36 43.86 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.29 141.45 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -53.07 121.36 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.1 mt -102.97 116.84 33.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' GLN . 16.9 mp0 -60.91 154.71 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -52.98 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.7 p -63.0 -33.28 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLU . 13.0 mm100 -68.74 -65.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' GLN . 61.9 mt-30 -31.74 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLN . 37.6 mt-10 -75.56 -54.33 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 28' ' ' VAL . 10.8 mp -63.41 -64.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . -37.3 -38.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.813 ' HA ' HG22 ' A' ' 40' ' ' VAL . 11.5 p -38.0 156.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 0.0 110.828 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -132.29 179.5 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -86.84 -37.66 17.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 p -53.22 -43.1 66.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.66 26.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 59.6 m-85 -137.51 156.06 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.897 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 34' ' ' SER . 86.3 t -119.53 124.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -122.55 153.97 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 23.7 p -54.5 -176.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 ttp -73.7 -1.39 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -103.76 -33.86 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -104.91 -12.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -39.66 -36.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.1 mt -58.88 153.0 45.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.495 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.71 -48.72 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -58.98 -27.93 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 26.1 mm-40 -63.83 -43.11 97.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.9 p-80 -111.29 34.63 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 5.1 t70 34.39 43.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 12.2 t -34.39 142.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -92.26 -31.09 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -123.38 96.31 4.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 m -107.53 171.64 7.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.1 92.13 0.85 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 p -64.98 85.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -134.52 162.82 31.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.93 -117.02 4.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 p -142.84 142.67 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.937 0.399 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -122.25 86.79 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -117.11 178.06 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.68 -30.22 5.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.507 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 4.2 tp-100 -79.64 77.66 6.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -78.17 -44.97 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.1 p -133.7 94.98 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -41.07 -35.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.667 ' O ' HD12 ' A' ' 25' ' ' LEU . 17.8 ttp180 -40.06 -39.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -107.84 151.02 26.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 t -45.36 165.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.79 -2.34 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -117.71 -43.72 2.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -107.51 -11.85 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 55.33 39.94 31.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 t -86.44 161.6 18.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HE3' ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -72.72 128.08 34.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 16' ' ' ARG . 10.0 mt -112.87 121.13 43.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -66.05 167.87 9.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.85 -40.37 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -71.01 -49.22 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' N ' HG13 ' A' ' 28' ' ' VAL . 2.3 mm-40 -54.67 -62.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.477 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 72.3 mt-30 -35.15 -35.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' GLN . 24.0 mm-40 -82.23 -50.8 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.22 -61.73 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.0 -43.76 8.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.526 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.22 150.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.05 -179.14 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -88.85 -36.17 16.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 p -51.23 -43.6 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.03 23.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.4 m-85 -136.71 149.08 47.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.927 0.394 . . . . 0.0 110.903 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 34' ' ' SER . 59.3 t -111.37 131.4 62.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.2 m-85 -124.91 -179.89 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' ARG . 27.3 p -86.6 178.6 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.1 ttp -64.94 -8.32 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt -101.37 -28.78 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -117.1 15.19 15.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 42' ' ' CYS . 10.1 ptt180 -67.62 -35.97 79.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.417 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.5 mt -62.53 152.63 80.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.612 0.72 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.52 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.82 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -54.75 -29.6 54.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 16.3 mm-40 -63.47 -43.26 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.8 p-80 -111.23 35.26 3.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.4 m-20 33.65 46.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ASP . 26.5 t -36.5 139.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -83.64 -31.6 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -56.81 164.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -122.73 101.22 7.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -61.7 -37.58 84.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.6 mtt -75.37 84.63 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.16 -128.68 3.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 42.54 41.57 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.84 170.98 14.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t -140.68 152.91 45.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.28 -179.51 30.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 134.99 29.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 m -104.76 -48.08 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.7 t -57.3 129.69 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.471 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -167.44 121.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -159.97 132.92 6.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.0 151.13 21.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -99.77 143.39 30.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -115.31 85.72 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.19 54.73 4.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.0 p -148.81 105.57 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 ttm-85 -94.67 107.85 19.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -128.16 46.1 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -45.86 -39.26 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 15' ' ' ARG . 4.2 tp-100 -86.07 78.17 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -42.12 78.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 m -133.67 99.8 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 26.9 mtt85 -40.13 -41.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 17.2 ttt180 -37.92 -41.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -100.21 156.79 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' HB2' HG22 ' A' ' 23' ' ' THR . 17.3 t -55.99 164.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.28 -2.78 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -116.0 -40.89 3.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -113.83 -11.4 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 56.58 44.25 24.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 18' ' ' CYS . 6.3 t -92.15 144.65 25.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -61.39 120.25 10.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 42' ' ' CYS . 16.1 mt -101.98 132.87 47.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.56 159.18 34.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -38.01 -54.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG23 ' N ' ' A' ' 29' ' ' GLN . 31.7 m -58.94 -48.14 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' N ' HG23 ' A' ' 28' ' ' VAL . 25.6 mm100 -53.97 -64.61 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 71.5 mt-30 -33.51 -38.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' GLN . 34.4 mm-40 -83.11 -47.62 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.0 mp -65.8 -66.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.4 -38.85 5.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.6 p -35.29 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.5 179.45 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -88.07 -37.2 16.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 p -50.79 -42.49 58.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.23 25.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.4 m-85 -136.55 151.14 49.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.927 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -113.13 129.55 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.722 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -123.6 175.15 6.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.4 p -83.82 177.54 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -63.56 -9.31 12.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.02 -27.93 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.0 16.82 15.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -66.98 -34.99 78.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.27 154.05 64.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.518 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.7 Cg_endo -69.77 -51.0 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.383 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -58.4 -27.05 63.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.26 -41.54 99.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.5 p-80 -112.11 36.91 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' CYS . 22.6 t0 35.74 42.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' ASP . 30.5 t -35.63 141.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -88.41 -32.05 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -54.59 171.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.22 89.34 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 48' ' ' PRO . 95.7 m-70 -70.48 169.44 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttt -67.47 84.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -163.8 -82.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -75.14 108.07 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.83 -86.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.6 m -94.95 -53.61 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.32 147.59 35.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 4.22 2.32 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.2 m -94.43 142.47 27.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -146.75 154.05 40.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.497 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -63.17 85.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -57.96 106.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.44 85.69 0.73 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -89.21 -52.53 5.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -170.53 136.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.48 43.62 0.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.9 p -102.47 144.94 30.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -113.45 82.55 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.8 m -163.76 121.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -54.5 -38.99 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 13' ' ' LYS . 2.3 tp-100 -56.03 109.63 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -76.8 -50.4 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.7 m -165.14 125.8 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -47.48 -41.54 20.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 9.8 ttm180 -41.16 -28.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -127.85 161.48 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.48 ' HB2' HG22 ' A' ' 23' ' ' THR . 16.3 t -51.42 166.29 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.63 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.98 -6.77 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -117.59 -40.41 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -110.94 0.28 17.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.59 ' NE2' ' N ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 39.46 46.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.6 t -89.84 155.46 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -64.39 116.8 6.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 15' ' ' ARG . 11.9 mt -102.81 133.88 47.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -76.96 155.47 32.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -46.19 -39.2 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.78 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.7 p -75.63 -26.85 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' GLN . 1.7 tm0? -78.45 -64.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' GLN . 76.1 mt-30 -33.26 -37.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 48.5 mm-40 -76.89 -51.03 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 28' ' ' VAL . 8.5 mp -64.96 -62.38 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.99 -34.7 3.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.5 p -39.26 148.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -120.63 178.75 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -87.03 -36.99 17.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.5 p -49.98 -42.69 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.95 22.4 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.56 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 73.8 m-85 -132.38 155.44 48.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.948 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.4 t -116.54 127.4 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -125.36 172.91 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' ARG . 29.2 p -83.48 174.28 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.5 ttp -57.73 -14.64 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.14 -37.92 13.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -111.92 20.53 16.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 42' ' ' CYS . 3.8 ptm180 -71.4 -31.1 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.458 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 11.6 mt -67.32 153.28 95.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.75 -49.24 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.673 2.249 . . . . 0.0 112.309 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -57.66 -28.32 63.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 15.8 mm-40 -64.04 -42.44 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.8 p-80 -111.5 35.44 3.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' HIS . 23.5 t0 34.43 44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' ASP . 33.6 t -34.35 143.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -90.3 -29.64 17.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.73 172.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.79 78.44 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -117.23 172.58 7.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.6 mtt -129.92 110.43 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.94 -47.34 7.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -112.67 137.19 51.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.32 160.97 3.31 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.1 t -83.18 82.15 8.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.06 -178.29 18.75 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.91 12.95 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.4 m -55.08 139.92 39.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 t -113.96 93.89 4.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -87.52 50.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -83.82 114.78 21.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.67 130.2 9.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 m -53.24 162.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -113.37 90.3 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.75 -162.03 24.9 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m -88.91 95.18 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.812 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -90.82 53.53 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 p -98.55 126.6 44.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 35.9 tttp -82.95 -27.08 30.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 5.0 tp-100 -78.73 71.03 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -56.82 -54.85 41.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 t -137.69 116.99 12.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.3 mtm-85 -48.23 -41.53 27.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -44.87 -38.04 4.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -104.22 141.55 36.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 t -42.69 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -103.29 -5.21 23.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -115.87 -41.98 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -108.45 -7.17 15.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 53.41 32.75 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -88.72 130.96 35.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.33 144.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.529 HD13 HG12 ' A' ' 40' ' ' VAL . 12.0 mt -123.38 118.1 26.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -49.68 150.72 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.626 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -40.2 -43.42 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 29' ' ' GLN . 9.3 p -72.74 -40.43 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' GLU . 6.9 mm100 -57.49 -60.02 4.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' GLN . 56.4 mt-30 -35.1 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 29' ' ' GLN . 29.4 mt-10 -81.91 -54.74 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.14 -63.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -46.49 -39.26 10.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.45 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' GLY . 8.2 p -35.66 151.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.68 178.58 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -86.54 -36.58 18.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.8 p -51.08 -42.08 60.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.16 24.7 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.05 150.04 49.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.922 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.529 HG12 HD13 ' A' ' 25' ' ' LEU . 92.7 t -111.31 128.87 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -125.08 176.51 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -84.84 -178.35 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.7 ttp -68.46 -2.13 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -106.63 -24.24 12.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -124.36 18.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -72.6 -27.04 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.38 151.33 94.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.377 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HB3' ' C ' ' A' ' 67' ' ' GLY . 16.4 pm0 -63.72 -17.56 63.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -77.3 -39.11 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.8 p-80 -114.49 32.82 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' HIS . 51.3 m-20 35.85 46.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 16.8 t -37.74 143.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -89.05 -26.23 21.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -61.35 166.14 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -131.49 86.64 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -42.18 134.34 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tpt -76.65 88.83 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.94 170.39 35.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -92.12 105.97 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.14 -128.19 6.31 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 t 47.78 40.95 13.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.11 -71.66 1.31 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 5.11 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 p 74.63 39.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.814 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.0 p -122.19 142.35 50.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' C ' ' HB3' ' A' ' 49' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -154.25 176.04 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -137.62 151.81 48.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.64 -57.42 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -46.0 136.51 6.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -167.44 150.38 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.75 -121.28 1.07 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -44.43 104.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -84.53 88.39 7.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 t -104.96 161.93 13.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -99.08 -32.3 11.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.491 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 3.4 tp-100 -73.62 81.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -76.66 -52.84 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -130.33 104.47 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -46.53 -35.59 5.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 9.1 ttm-85 -46.39 -36.99 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -107.42 149.0 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.2 t -46.29 166.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.623 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -106.43 -5.59 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.442 HE22 ' CB ' ' A' ' 51' ' ' HIS . 2.4 tt0 -111.87 -39.96 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -115.92 -11.32 11.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 56.53 43.62 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.1 t -92.85 143.11 26.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -55.06 128.05 31.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.37 125.92 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' GLN . 49.9 mt-10 -67.66 146.24 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -35.2 -41.02 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -70.15 -44.15 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' GLU . 14.0 mm100 -60.99 -62.07 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' GLN . 73.1 mt-30 -34.28 -34.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' GLN . 6.0 mm-40 -77.59 -53.65 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -67.52 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -40.81 -37.46 1.34 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.5 p -41.06 154.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.32 178.46 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -88.2 -35.9 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.34 23.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -136.59 150.44 48.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.397 . . . . 0.0 110.916 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.85 129.46 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -127.09 176.84 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ARG . 30.0 p -88.24 174.39 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.3 ttp -58.23 -13.82 5.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -93.08 -37.42 12.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -112.87 22.84 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.6 ptm180 -75.89 -31.23 59.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 ' OE2' ' A' ' 49' ' ' GLU . 10.4 mt -66.69 151.59 96.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.74 -45.19 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.661 2.24 . . . . 0.0 112.404 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' OE2' HD22 ' A' ' 47' ' ' LEU . 13.7 pm0 -61.98 -22.78 65.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -71.69 -40.42 69.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.509 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.6 p-80 -112.73 33.53 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' HIS . 19.8 t70 34.66 46.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.9 t -37.87 138.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -81.94 -29.59 32.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -58.29 160.19 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -121.83 81.75 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -45.47 133.65 7.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 ttt -76.99 100.59 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.85 -167.48 38.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -100.62 -59.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.39 98.06 1.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.5 m -56.51 -48.93 76.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.55 110.48 0.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.9 24.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.303 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 t -120.27 87.66 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -131.01 -44.76 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.448 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 p -146.35 136.53 23.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -154.79 140.85 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.85 142.97 11.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -91.87 153.47 19.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 t -79.56 94.62 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.02 -63.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.454 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.5 m 49.14 44.93 23.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.819 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -93.51 48.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -147.1 135.56 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.69 -52.77 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 15' ' ' ARG . 13.4 tt0 -67.37 83.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -53.78 -42.06 67.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -149.36 115.54 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HA ' ' NE2' ' A' ' 12' ' ' GLN . 21.6 mtt85 -39.48 -37.42 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -39.92 -42.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.6 mtm-85 -105.05 151.35 24.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' HG22 ' A' ' 23' ' ' THR . 20.8 t -51.07 165.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.607 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.95 -3.02 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.497 ' OE1' ' CD2' ' A' ' 45' ' ' HIS . 5.4 tt0 -114.2 -40.21 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -118.19 -9.36 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 54.12 52.95 11.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.9 t -99.47 142.54 30.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -56.63 121.09 8.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 mt -104.21 125.99 50.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.43 168.58 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.39 -40.12 61.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.08 -40.02 57.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' GLU . 14.6 mm100 -62.75 -63.01 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' GLN . 32.3 mt-30 -33.71 -35.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 45.4 mm-40 -80.85 -53.28 6.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.55 -61.72 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -45.59 -42.63 10.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.4 p -34.85 151.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.71 -178.97 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -88.58 -37.57 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.66 -42.38 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.67 21.13 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.2 m-85 -132.46 149.37 52.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.0 t -111.01 126.64 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.3 m-85 -121.64 178.61 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.7 p -89.0 -179.99 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -64.93 -7.29 10.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.8 mt -101.08 -32.8 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.497 ' CD2' ' OE1' ' A' ' 20' ' ' GLN . 35.7 m80 -116.23 22.59 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -75.26 -34.48 61.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.91 151.48 85.43 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.8 Cg_endo -69.71 -48.37 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -57.88 -26.74 62.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -66.48 -41.66 88.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.9 p-80 -113.08 34.07 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' HIS . 39.0 m-20 34.15 45.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.2 t -36.01 142.04 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 t -87.95 -27.67 21.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -63.57 165.32 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.37 116.6 20.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.57 41.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 tpp -94.35 -59.7 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.75 -54.21 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -165.44 106.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.05 -104.11 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.2 p -124.7 177.19 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.93 -93.04 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.41 10.08 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.9 p -107.07 42.29 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.7 t 63.37 42.22 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.516 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 p 40.24 42.15 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -95.05 -43.9 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.3 -121.17 6.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -73.56 151.59 40.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.828 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 m -122.18 -58.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.7 -146.18 16.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -63.17 107.12 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.836 0.35 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -78.81 124.17 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.8 p -127.52 165.35 20.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 6.4 tptp -78.84 -64.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 15' ' ' ARG . 8.2 tt0 -52.52 97.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -12.84 53.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -168.52 112.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' O ' HD12 ' A' ' 25' ' ' LEU . 23.6 mtt85 -46.16 -33.93 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 13.9 ttp180 -44.08 -38.36 3.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -110.85 153.58 25.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.7 t -52.28 165.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -104.67 -4.04 22.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -114.82 -41.1 3.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -113.98 -9.43 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' NE2' ' HE3' ' A' ' 11' ' ' LYS . 50.7 mm-40 55.0 37.68 29.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 t -86.55 146.69 26.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -57.99 127.63 33.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 15' ' ' ARG . 13.2 mt -109.2 125.05 51.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' GLN . 1.9 mp0 -66.63 155.8 36.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -45.58 -39.48 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.623 ' O ' HD13 ' A' ' 32' ' ' LEU . 3.6 p -76.63 -23.66 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.3 mm100 -78.76 -63.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.481 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 74.9 mt-30 -33.27 -35.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 39.7 mm-40 -77.83 -53.26 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 28' ' ' VAL . 6.5 mp -62.05 -65.79 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.48 -40.42 3.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.4 p -36.4 153.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 t -130.05 177.33 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 57' ' ' HIS . 15.9 mtm180 -85.88 -33.7 21.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.4 p -51.04 -43.45 60.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.64 23.1 0.91 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 61.2 m-85 -136.19 149.86 48.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 110.95 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -112.03 131.01 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.34 -178.84 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.81 -178.35 5.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -68.69 -0.99 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -106.03 -31.11 8.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -119.35 21.89 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -73.68 -34.96 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -62.44 152.38 80.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.571 0.7 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.75 -47.61 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.97 -26.24 62.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -68.22 -41.07 81.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 27.0 p-80 -112.84 33.4 5.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 45.0 m-20 34.19 45.86 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . 15.8 t -36.34 143.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -92.21 -29.91 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -59.02 179.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -133.93 83.89 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -105.79 -35.53 7.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.5 ttt -48.32 -52.59 20.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 43.8 74.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 130.43 47.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.846 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -166.84 -159.64 12.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.1 p -73.71 152.69 40.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.97 -100.06 1.92 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -14.42 36.04 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.639 2.226 . . . . 0.0 112.368 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 p -110.29 95.28 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t 66.37 43.05 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.473 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -122.29 119.52 31.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -84.05 42.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.83 97.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -67.14 107.47 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -166.47 162.05 16.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.1 128.83 5.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -119.75 98.2 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' SER . 7.8 ptm180 -128.95 -52.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 5.6 m -114.85 159.08 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.59 -43.61 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.07 118.56 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -91.7 -33.95 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.9 m -158.86 113.79 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -42.83 -44.53 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -39.12 -37.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -108.9 155.07 21.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 t -52.64 165.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.03 -3.45 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.02 -42.88 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -109.79 -10.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 53.67 41.55 32.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.69 146.18 24.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -58.38 122.25 12.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD13 HG12 ' A' ' 40' ' ' VAL . 15.7 mt -103.12 118.66 37.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -61.69 157.34 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -41.06 -47.32 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.612 HG22 HD13 ' A' ' 32' ' ' LEU . 9.9 p -67.64 -41.91 86.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' N ' HG13 ' A' ' 28' ' ' VAL . 13.9 mm100 -58.97 -63.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.5 mt-30 -33.9 -39.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.53 -49.38 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD13 HG22 ' A' ' 28' ' ' VAL . 9.3 mp -65.36 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.63 -41.11 6.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.466 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.6 p -34.19 150.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.876 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -125.24 179.96 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -88.12 -37.33 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -49.43 -44.45 45.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.41 25.86 0.62 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.502 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.8 m-85 -138.74 147.4 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.963 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.477 HG12 HD13 ' A' ' 25' ' ' LEU . 65.2 t -107.49 131.04 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 4.7 m-85 -125.06 176.04 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.7 p -83.91 -180.0 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.5 ttp -66.33 -8.16 23.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.76 -25.71 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -120.77 20.14 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -72.72 -30.58 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.66 153.64 95.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.0 Cg_endo -69.75 -50.33 0.48 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -55.09 -28.26 51.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -64.8 -43.37 93.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.5 p-80 -112.02 35.75 3.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' HIS . 9.3 t0 32.95 45.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.9 t -36.77 140.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.34 -30.36 23.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -57.8 163.17 2.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -120.8 83.58 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -42.22 -37.52 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.7 mtt -91.87 -49.56 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.63 126.26 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -151.38 144.23 24.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.33 83.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.2 t -114.73 -56.74 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.25 -93.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.558 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.4 12.73 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t 55.97 41.85 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.1 t -76.68 -47.13 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.53 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -44.99 -60.35 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -96.9 143.35 27.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.91 173.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -140.38 135.42 32.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 m -73.78 -55.87 5.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.8 153.86 36.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.3 m -155.28 125.04 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -102.1 85.82 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 m -130.3 51.52 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -29.0 58.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.486 ' NE2' ' HB2' ' A' ' 19' ' ' PHE . 4.0 tp-100 -87.28 51.09 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -54.34 -39.74 67.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 m -134.1 106.73 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -57.13 -39.23 74.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -41.89 -36.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -106.9 151.81 24.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.42 ' HB2' HG22 ' A' ' 23' ' ' THR . 15.7 t -47.54 165.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -104.42 -5.51 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -115.97 -38.33 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.5 p -115.45 -5.94 12.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 47.61 50.26 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.2 t -99.11 146.62 25.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -56.35 128.15 34.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.03 118.06 35.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 27' ' ' LEU . 3.3 mm-40 -59.32 151.42 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -33.55 -56.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.552 HG22 HD13 ' A' ' 32' ' ' LEU . 7.9 p -60.93 -46.54 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.517 ' N ' HG13 ' A' ' 28' ' ' VAL . 12.2 mm100 -50.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' GLN . 65.9 mt-30 -34.47 -37.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' GLN . 13.3 mm-40 -78.76 -50.3 11.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 HG22 ' A' ' 28' ' ' VAL . 9.5 mp -65.64 -62.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.71 -41.11 6.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.7 p -36.23 148.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.834 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.6 179.97 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -88.62 -36.69 16.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.2 p -50.81 -42.91 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.12 24.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.615 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 60.9 m-85 -136.49 149.93 48.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -110.41 128.55 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -124.67 175.45 7.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ARG . 26.7 p -83.31 178.27 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.402 ' N ' HE22 ' A' ' 29' ' ' GLN . 10.4 ttp -64.49 -9.14 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -100.81 -24.88 14.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -121.27 16.66 11.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' CYS . 7.0 ptm180 -70.67 -33.5 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.29 152.63 88.09 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.642 0.734 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.2 Cg_endo -69.76 -49.79 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.72 2.28 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.31 -30.07 62.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -62.45 -43.07 99.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 32.0 p-80 -111.48 34.63 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 7.1 m-20 34.04 45.4 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 19.2 t -37.0 141.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -86.01 -27.02 25.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -61.2 171.75 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -131.62 79.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -40.04 131.63 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 tpp -44.99 145.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.2 108.45 3.24 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -57.3 -35.89 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 60' ' ' ARG . . . -82.99 153.29 30.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.5 m -124.64 149.28 47.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.97 -120.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.95 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.327 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.8 p -80.34 -44.11 20.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.0 p -125.15 123.95 40.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.53 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -111.5 119.55 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.888 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -107.76 173.0 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.76 50.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -64.08 98.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 t -124.92 103.42 8.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.11 73.47 0.87 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -113.69 140.88 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 72.76 41.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 m -95.01 106.56 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 5.9 tppt? -106.57 -24.84 12.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 19' ' ' PHE . 4.0 tp60 -75.82 128.24 34.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.48 -56.68 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.6 t -138.74 118.59 13.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 25' ' ' LEU . 35.9 mtm180 -51.43 -38.71 54.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -41.82 -30.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 mtp180 -119.27 152.21 37.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 t -48.6 165.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 13.3 t80 -105.29 2.3 28.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -124.28 -42.28 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.3 p -110.25 -10.98 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 55.07 43.24 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -90.53 154.44 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -63.22 126.69 28.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 15' ' ' ARG . 16.9 mt -109.37 118.24 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.46 151.89 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -38.38 -43.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.3 p -68.62 -46.96 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.499 ' N ' HG13 ' A' ' 28' ' ' VAL . 11.6 mm100 -56.64 -62.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 72.9 mt-30 -33.36 -37.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' GLN . 7.0 mm-40 -78.83 -53.11 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.59 -62.34 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.92 -42.18 2.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLY . 4.7 p -35.16 152.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.871 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 t -126.36 178.07 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.91 -37.53 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -51.85 -42.98 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 25.17 0.66 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 19' ' ' PHE . 53.6 m-85 -135.63 158.74 43.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.94 0.4 . . . . 0.0 110.923 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 34' ' ' SER . 43.5 t -120.14 128.42 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -128.78 153.79 47.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.2 p -54.99 -176.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.5 ttp -74.99 -0.67 19.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -104.66 -33.17 8.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -105.17 -10.58 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptt85 -42.35 -39.14 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 8.4 mt -56.05 152.78 20.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.711 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.473 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.69 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.27 -27.55 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 28.8 mm-40 -64.51 -44.23 91.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.473 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 33.3 p-80 -110.48 34.57 3.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' HIS . 4.1 t70 34.25 44.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -36.38 141.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -89.46 -29.36 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -60.08 179.75 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -131.91 91.53 2.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -63.53 -38.15 90.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.4 mmt -133.67 94.68 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 42.21 -116.85 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.03 121.72 46.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.16 142.92 16.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -108.16 122.22 46.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.955 0.407 . . . . 0.0 110.853 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.06 157.9 51.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 100.44 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -124.18 153.75 41.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.8 p -142.33 145.29 33.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.464 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -64.58 141.9 58.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -114.61 144.15 43.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.79 -42.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -136.52 140.87 43.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.904 0.383 . . . . 0.0 110.863 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t 58.33 42.28 21.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.48 89.93 0.32 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.5 p -71.49 121.82 19.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -89.39 41.72 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.5 p -100.08 145.39 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 8.5 tppt? -84.66 -45.46 12.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -92.83 118.13 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -90.29 -46.36 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.3 t -119.17 147.31 44.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -81.85 42.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -122.0 -38.91 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' CYS . 34.4 mtm180 -103.45 137.23 41.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.9 t -41.59 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.743 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -102.87 -4.01 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.563 HE21 ' CD2' ' A' ' 45' ' ' HIS . 3.1 tt0 -116.8 -40.18 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -111.85 -11.77 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 55.91 44.27 26.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 18' ' ' CYS . 4.7 t -96.67 142.97 28.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.78 131.27 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.02 129.18 56.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.35 156.69 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.17 -43.31 2.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.776 ' O ' HD13 ' A' ' 32' ' ' LEU . 7.1 p -66.31 -39.78 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -70.73 -65.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.0 mt-30 -33.95 -41.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -73.75 -47.05 41.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 28' ' ' VAL . 11.1 mp -71.08 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.38 -38.8 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 6.4 p -36.64 151.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.95 0.405 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.57 178.82 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -87.13 -36.6 17.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -51.17 -42.49 60.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.86 25.47 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.743 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 51.3 m-85 -135.54 151.14 50.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t -114.47 126.45 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 2.1 m-85 -122.05 178.61 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.3 179.64 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.9 ttp -64.87 -7.75 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.48 -31.95 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' HE21 ' A' ' 20' ' ' GLN . 36.1 m80 -118.72 22.35 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -28.03 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.5 HD22 ' OE2' ' A' ' 49' ' ' GLU . 9.3 mt -68.44 155.93 91.56 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.718 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.49 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.78 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.509 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 5.2 pm0 -57.75 -27.16 62.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.509 ' NE2' ' HG2' ' A' ' 49' ' ' GLU . 1.2 mp0 -64.86 -41.25 95.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 27.8 p-80 -113.31 35.16 4.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 8.3 m-20 34.71 43.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 25.5 t -34.54 143.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -90.33 -29.13 18.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -58.88 174.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.55 88.45 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' H ' ' CD2' ' A' ' 57' ' ' HIS . 24.5 m-70 -59.28 92.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.6 tpp -77.96 -59.38 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.22 97.22 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -173.83 149.52 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.96 116.15 8.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.5 m -84.8 122.69 29.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -166.48 83.96 0.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 102.23 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.7 t 52.74 42.12 31.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -138.18 157.44 46.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.501 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -162.32 150.33 14.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -164.89 151.99 11.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.03 149.05 20.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -112.48 42.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.835 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -39.04 145.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 61.33 76.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.7 m -34.82 -39.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -83.62 55.92 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.6 p -97.53 106.63 18.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HG2' ' CE2' ' A' ' 19' ' ' PHE . 5.0 tptt -149.58 160.08 43.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.58 45.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -71.64 -34.59 69.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 m -127.62 99.8 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -49.76 -34.48 19.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.518 ' O ' HD12 ' A' ' 25' ' ' LEU . 43.7 ttt180 -55.99 -31.12 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -108.27 149.12 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.403 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.1 t -48.18 165.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.58 -3.2 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -119.37 -41.66 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 p -112.14 -4.66 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 46.65 40.43 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 4.9 t -84.3 153.1 23.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 125.62 25.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 16' ' ' ARG . 9.0 mt -111.87 121.76 45.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' GLN . 12.4 mt-10 -68.03 155.65 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -41.8 -38.87 1.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.11 -39.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.1 mm100 -67.99 -63.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' NE2' ' HG3' ' A' ' 16' ' ' ARG . 42.3 mt-30 -31.1 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.8 mm-40 -73.82 -54.88 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.4 mp -64.85 -65.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.98 -41.82 1.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.9 p -38.91 151.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -124.9 179.08 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -88.31 -33.93 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.2 p -52.73 -44.09 66.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.96 25.32 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -138.07 150.89 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.7 127.23 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -124.11 174.56 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 28.4 p -82.96 177.0 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.414 ' N ' HE22 ' A' ' 29' ' ' GLN . 5.5 tmm? -63.55 -6.86 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.9 mt -102.95 -24.51 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -122.2 16.53 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -71.39 -35.07 70.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.98 151.98 84.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.512 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.74 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.366 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.4 -26.14 39.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.09 -42.57 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 25.6 p-80 -111.44 33.63 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' HIS . 10.6 m-20 34.67 47.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 14.1 t -37.79 140.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -88.6 -20.23 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -64.38 156.74 28.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -109.54 103.85 12.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -68.4 122.72 19.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -77.78 171.4 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.6 -40.53 2.99 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.9 mmt-85 -75.64 90.18 2.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -119.71 -51.65 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -96.66 157.82 15.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.964 0.412 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.98 -173.94 22.15 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 160.04 51.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -105.46 42.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 t -105.69 149.96 25.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.071 -0.849 . . . . 0.0 112.523 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -164.86 154.87 13.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -119.96 -60.58 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.1 125.45 24.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 p -54.47 132.17 44.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -166.9 133.34 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.75 89.1 1.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -69.57 -49.22 56.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -127.29 118.05 23.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.0 p -81.69 172.48 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -82.26 -39.7 22.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -100.21 107.8 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -93.16 -37.56 12.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -123.52 143.79 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 mtm105 -89.14 46.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HA ' ' CD ' ' A' ' 30' ' ' GLN . 9.3 ttm180 -117.83 -39.58 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -112.06 147.59 35.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 t -43.89 164.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.89 -4.42 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -118.29 -41.4 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' GLN . 24.5 p -113.18 0.65 14.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' CYS . 13.8 mp0 38.13 50.39 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -95.55 144.48 25.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 123.93 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.0 mt -109.83 121.82 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' GLN . 7.2 mm-40 -63.04 154.64 30.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.41 -38.22 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.535 ' O ' HD13 ' A' ' 32' ' ' LEU . 8.5 p -76.56 -26.84 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' GLU . 11.0 mm100 -74.36 -62.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' GLN . 68.0 mt-30 -34.22 -33.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 29' ' ' GLN . 19.4 mt-10 -78.67 -52.08 8.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 28' ' ' VAL . 9.7 mp -64.11 -64.88 0.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -43.5 -39.69 4.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLY . 9.9 p -34.74 151.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 -179.76 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -91.12 -35.82 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.7 p -52.15 -40.03 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.69 22.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 64.0 m-85 -134.51 151.41 51.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -113.91 124.41 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 4.1 m-85 -117.83 178.72 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.72 -177.56 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.0 ttp -68.49 -4.1 13.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -106.12 -24.97 12.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -120.71 12.24 11.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -63.45 -34.48 77.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.12 152.02 94.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.504 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.6 Cg_endo -69.71 -50.9 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -54.29 -28.18 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -65.58 -44.43 86.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.504 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 23.8 p-80 -109.79 34.87 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' HIS . 2.7 m-20 33.82 46.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.6 t -36.9 142.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.2 t -85.51 -27.87 25.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -58.61 153.88 15.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.82 49.01 1.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -41.1 -38.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.0 mmm -54.61 142.43 28.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.24 167.13 25.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -130.59 169.51 15.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.46 -102.22 0.18 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 t -87.27 94.74 9.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.89 113.49 2.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.473 ' O ' ' C ' ' A' ' 65' ' ' SER . 53.8 Cg_endo -69.79 5.67 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 64' ' ' PRO . 1.0 OUTLIER -32.21 113.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.8 t -113.7 146.96 39.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.455 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -135.65 142.54 45.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -98.86 159.41 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.4 94.44 0.94 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -63.23 175.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -95.84 -61.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.47 168.57 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m -60.1 176.92 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -111.94 140.16 46.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -99.05 144.41 28.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 1.2 tpmp? -97.12 177.41 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 69.26 36.1 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -38.82 -38.04 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.6 m -160.88 110.09 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' ARG . 36.2 mtt-85 -35.9 -40.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -34.94 -45.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -105.83 151.97 23.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' HG22 ' A' ' 23' ' ' THR . 19.8 t -48.1 163.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -104.36 -2.85 24.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -114.22 -43.22 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.9 p -110.94 -12.87 14.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 59.19 42.22 18.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.419 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.0 t -91.25 143.03 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -58.69 119.66 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mt -104.12 128.69 51.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' LEU . 5.2 mm-40 -83.27 160.35 21.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' GLU . 4.4 mm? -35.43 -38.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.52 -64.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLY . 28.1 mm100 -58.03 -58.52 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 25' ' ' LEU . 81.4 mt-30 -31.66 -41.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.4 mm-40 -89.11 -46.0 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.38 -60.69 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' GLN . . . -50.31 -36.98 30.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 33' ' ' GLY . 31.0 p -37.57 154.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.91 178.23 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -88.95 -35.51 16.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.6 p -49.89 -41.23 45.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.8 21.64 1.1 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 69.8 m-85 -135.71 147.87 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 HD13 ' A' ' 25' ' ' LEU . 88.2 t -108.8 128.14 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -124.76 173.89 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.2 p -84.21 174.42 10.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 ttp -59.17 -13.88 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.2 mt -92.59 -38.14 12.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -111.36 22.32 15.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' CYS . 5.0 ptm180 -73.7 -31.34 63.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.31 152.81 93.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.489 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.79 -49.18 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.63 2.22 . . . . 0.0 112.3 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.22 -27.36 61.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -66.01 -42.92 89.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 26.5 p-80 -111.26 33.42 4.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 51' ' ' HIS . 33.5 t70 34.71 47.78 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.5 t -39.37 141.11 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.2 t -87.52 -24.35 24.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.21 156.53 18.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -109.81 112.69 24.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -85.59 -37.87 19.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.3 108.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.61 -84.41 1.77 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -152.95 147.42 25.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -166.01 -150.63 6.38 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 t -116.85 128.38 55.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.33 173.31 19.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 148.08 64.54 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 t -97.64 83.12 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.0 t -75.21 88.24 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.461 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -70.02 137.62 51.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p 45.63 42.19 8.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.82 83.57 0.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -151.05 128.99 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 m -116.8 121.77 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.89 70.1 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 4.6 t -148.65 117.51 6.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.381 . . . . 0.0 110.891 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 8' ' ' SER . 3.0 mpt_? -132.78 124.1 27.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.0 p -113.65 140.84 47.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -78.08 -35.11 49.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.461 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 8.0 tp-100 -74.85 79.4 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -69.08 -46.25 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.7 m -142.86 114.9 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 25' ' ' LEU . 39.9 mtm180 -49.93 -38.49 36.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HD3' ' CD ' ' A' ' 30' ' ' GLN . 8.9 tpp180 -40.22 -42.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 18' ' ' CYS . 46.2 mtm180 -105.99 143.39 34.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 17' ' ' ARG . 16.3 t -41.7 164.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.637 ' CD2' ' CD2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -103.42 -4.49 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -114.96 -43.34 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -108.0 -9.56 15.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 56.36 38.4 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 t -94.29 135.12 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -47.58 143.81 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.519 HD13 HG12 ' A' ' 40' ' ' VAL . 18.3 mt -121.8 119.42 31.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' LEU . 70.0 mm-40 -57.41 149.79 19.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -36.67 -50.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.1 p -65.47 -44.56 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.471 ' N ' HG13 ' A' ' 28' ' ' VAL . 13.8 mm100 -54.94 -64.23 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' GLN . 63.6 mt-30 -32.44 -38.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLN . 8.7 mt-10 -75.28 -52.26 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 29' ' ' GLN . 11.0 mp -65.67 -61.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.34 -41.24 6.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 33' ' ' GLY . 10.2 p -37.13 150.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.833 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.86 -177.44 3.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -90.5 -36.94 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -51.59 -43.98 62.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.94 27.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.5 m-85 -137.96 150.04 46.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 HD13 ' A' ' 25' ' ' LEU . 89.1 t -110.72 129.02 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.464 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 5.0 m-85 -124.58 175.1 7.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.4 p -81.5 -179.56 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.7 ttp -66.38 -8.6 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -101.95 -27.42 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -117.03 17.17 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -70.87 -34.84 72.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.85 152.16 91.27 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.9 Cg_endo -69.71 -50.66 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.58 -28.55 46.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.0 -42.62 94.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 24.5 p-80 -111.96 35.52 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.7 t0 33.41 46.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' ASP . 28.6 t -37.57 141.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -85.13 -31.59 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -56.95 164.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -119.88 108.11 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -74.29 161.92 29.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -52.42 -46.23 66.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.21 136.29 17.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -57.81 2.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 153.26 -128.1 2.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.6 p -174.06 132.37 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 43.95 -149.42 0.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.49 25.19 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.387 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.0 t -150.24 149.06 29.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.0 t -107.79 130.03 55.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.518 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -93.86 -48.83 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t 45.1 42.25 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.37 161.66 33.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -141.44 121.43 13.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -108.86 43.02 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.36 156.9 53.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.2 p -80.86 128.03 33.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -38.91 -59.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.9 p -165.6 128.1 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 31.2 tttp -61.24 -23.8 65.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -101.52 126.15 48.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -115.93 -41.25 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 m -130.43 137.32 49.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -79.11 45.99 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 19.0 ttm105 -122.88 -36.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -111.88 146.77 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB2' HG22 ' A' ' 23' ' ' THR . 18.2 t -46.85 164.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -102.19 -3.27 27.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -118.29 -42.7 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.1 -3.18 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 46.37 40.94 8.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.8 t -89.63 147.64 23.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -62.98 124.37 20.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 42' ' ' CYS . 15.6 mt -104.68 126.14 51.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.26 150.68 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -40.14 -38.44 0.75 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.528 HG13 ' N ' ' A' ' 29' ' ' GLN . 7.9 p -76.78 -47.47 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.528 ' N ' HG13 ' A' ' 28' ' ' VAL . 4.0 tm0? -55.75 -56.26 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' A' ' 29' ' ' GLN . 55.2 mt-30 -32.74 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLN . 12.2 mt-10 -82.38 -54.95 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mt -50.99 -66.31 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -44.08 -39.83 5.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' GLY . 5.2 p -33.8 145.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.903 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 t -124.23 173.41 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -78.66 -37.33 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.3 p -49.06 -43.69 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.75 24.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 48.9 m-85 -135.38 150.29 49.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.957 0.408 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.0 t -111.85 128.04 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 51' ' ' HIS . 3.4 m-85 -121.61 178.41 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' ARG . 28.7 p -85.75 166.95 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.8 ttp -54.45 -14.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 mt -94.37 -32.64 13.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -113.22 14.24 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' CYS . 4.0 ptm180 -63.61 -34.71 78.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.9 mt -63.69 152.25 86.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.79 -48.54 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -57.37 -26.64 61.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 44.6 mm-40 -66.02 -40.44 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 22.8 p-80 -112.83 35.75 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' HIS . 1.2 m-20 34.13 45.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 52' ' ' ASP . 34.7 t -35.77 141.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.1 t -88.7 -31.74 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -49.9 167.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -99.03 -34.33 10.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 63.64 44.38 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 mtt -50.55 169.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.5 -71.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -143.61 111.71 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.48 -83.36 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.2 m 50.73 43.22 28.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.47 99.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.87 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.317 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.7 m -54.79 -44.96 74.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 t -82.03 96.37 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.487 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 58.95 43.83 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -90.89 -51.66 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.91 170.32 13.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -115.82 166.74 11.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -117.58 -48.82 2.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.42 179.32 53.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 p -100.84 99.33 9.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -91.15 112.28 24.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 m 53.12 49.94 18.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -43.87 31.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -74.11 115.14 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -35.78 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.1 p -159.32 126.69 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.531 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -49.18 -55.1 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' ARG . 29.9 mtt180 -32.8 -35.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' ARG . 16.8 mtt85 -108.74 138.01 45.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' HB2' HG22 ' A' ' 23' ' ' THR . 22.4 t -44.1 165.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -100.42 -3.88 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -119.82 -41.39 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.1 p -111.06 -8.39 14.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.4 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 68.4 mm-40 50.57 46.18 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 5.1 t -94.77 139.3 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.69 127.04 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 15' ' ' ARG . 9.3 mt -110.16 120.4 42.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLN . 27.3 mt-10 -53.04 145.25 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -36.7 -41.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.476 HG22 HD13 ' A' ' 32' ' ' LEU . 9.3 p -74.76 -38.72 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 26' ' ' GLU . 9.1 mm100 -57.8 -60.29 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' NE2' ' HG2' ' A' ' 16' ' ' ARG . 56.2 mt-30 -33.93 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' GLN . 5.8 mm-40 -78.74 -51.31 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG22 ' A' ' 28' ' ' VAL . 5.7 mp -63.72 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -42.04 -39.43 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.456 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' GLY . 14.4 p -36.61 151.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.869 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -125.59 179.08 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.6 p -49.05 -44.53 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.09 25.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 57.6 m-85 -136.6 150.78 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.926 0.393 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.5 t -109.88 127.99 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.74 172.86 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 26.5 p -81.44 178.52 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.4 ttp -65.15 -6.86 10.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.7 mt -101.76 -28.1 12.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -117.71 16.29 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -70.19 -32.83 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.82 151.9 94.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.2 Cg_endo -69.7 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.89 -25.45 57.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.4 -42.26 79.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.6 p-80 -112.63 34.85 4.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' HIS . 6.2 m-20 33.53 45.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' ASP . 22.3 t -35.93 136.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -82.68 -31.23 28.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -54.5 164.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -113.72 49.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CD2' ' N ' ' A' ' 58' ' ' MET . 6.1 p-80 -96.86 -31.82 12.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.434 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 5.5 tmm? -43.76 115.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.61 -178.18 46.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -56.08 103.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.38 156.58 22.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 m -127.75 108.95 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.71 -152.52 6.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 88.65 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.737 2.291 . . . . 0.0 112.318 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.1 p -78.64 -52.93 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -67.2 107.09 2.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.509 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -127.47 99.94 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -150.36 130.52 13.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.61 178.05 17.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -139.59 122.01 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.827 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -93.01 -52.27 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.33 56.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.8 p -169.41 124.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -128.85 120.55 26.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.4 t -67.26 110.65 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -60.85 -46.42 90.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' NE2' ' H ' ' A' ' 40' ' ' VAL . 4.1 tp60 -58.66 110.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -90.38 -49.47 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -141.93 154.69 45.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -84.46 39.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -119.5 -39.34 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -110.72 144.11 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HB2' HG22 ' A' ' 23' ' ' THR . 18.1 t -42.68 166.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -102.82 -5.73 23.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -115.78 -42.73 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -110.89 -7.36 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 49.87 45.8 24.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.9 t -93.09 146.61 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -55.87 118.42 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 42' ' ' CYS . 10.6 mt -104.13 117.12 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 29' ' ' GLN . 9.0 pt-20 -61.03 156.87 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.36 -45.89 3.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 26' ' ' GLU . 35.4 m -64.13 -34.3 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' GLU . 26.0 mm100 -71.67 -64.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' GLN . 37.4 mt-30 -33.39 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLN . 10.5 mm-40 -85.87 -52.59 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 28' ' ' VAL . 8.9 mp -65.67 -63.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 34' ' ' SER . . . -39.75 -38.12 1.05 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' HG22 ' A' ' 40' ' ' VAL . 10.8 p -37.27 149.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.866 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.14 -179.25 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -88.16 -37.71 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.9 p -49.99 -44.53 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.64 26.26 0.54 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.609 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 62.1 m-85 -138.25 155.01 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.908 0.385 . . . . 0.0 110.96 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 34' ' ' SER . 83.6 t -113.54 130.72 67.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.426 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 7.6 m-85 -125.52 175.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' HA ' HD22 ' A' ' 25' ' ' LEU . 27.2 p -82.19 -177.45 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -67.23 -9.79 44.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -102.18 -23.19 14.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -120.06 14.75 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -69.98 -34.78 73.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -66.42 152.25 94.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.638 0.732 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.515 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.3 Cg_endo -69.8 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.351 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.66 -30.79 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -62.02 -46.68 88.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.5 p-80 -107.85 35.39 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' HIS . 5.1 t70 33.55 45.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 24.2 t -36.43 141.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.2 t -85.25 -31.53 23.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -55.98 167.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -124.84 86.98 2.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -50.11 -39.34 42.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.8 mtp -74.45 -57.39 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.75 156.69 9.89 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 162.18 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.22 144.64 3.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 t 61.41 42.25 11.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.14 148.71 11.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.93 6.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -51.13 -61.08 2.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -113.7 164.81 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 p -169.72 132.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -113.59 146.19 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.66 98.97 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -91.55 116.02 28.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.0 p -132.7 122.63 24.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.5 -45.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -88.98 94.55 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.8 mtp85 -133.39 103.47 5.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.2 p -90.51 92.35 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -108.33 169.41 8.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' ' 40' ' ' VAL . 10.0 tp60 74.0 43.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -42.56 -38.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 73.4 m -151.91 161.2 43.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HG3' HG21 ' A' ' 40' ' ' VAL . 5.8 mpt_? -83.09 39.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -119.77 -39.41 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.8 mtt85 -109.11 136.58 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.9 t -42.82 166.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -100.58 -2.83 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -120.06 -41.75 2.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.2 p -112.04 -7.31 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 49.93 41.87 23.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -88.67 140.74 29.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -52.29 125.44 15.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.93 130.1 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -70.54 154.29 42.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -39.01 -40.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 29' ' ' GLN . 27.6 m -68.97 -46.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.502 ' N ' HG23 ' A' ' 28' ' ' VAL . 3.8 mm-40 -57.93 -63.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' GLN . 54.5 mt-30 -34.6 -32.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' GLN . 69.8 mm-40 -89.39 -47.43 8.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.79 -66.37 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -38.87 -33.43 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.4 p -42.27 151.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.53 179.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -90.07 -36.61 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.6 p -49.54 -44.95 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.0 27.38 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.551 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 70.7 m-85 -141.34 148.26 39.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.461 HG21 ' HG3' ' A' ' 15' ' ' ARG . 65.1 t -107.93 131.16 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -126.95 177.63 6.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.71 -178.39 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.6 tmm? -67.17 -6.06 16.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.7 mt -102.74 -26.53 13.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -120.7 16.57 11.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.58 -30.73 67.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 12.9 mt -69.09 151.26 97.24 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.456 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 54.1 Cg_endo -69.72 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.351 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -58.29 -24.18 58.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 21.9 mm-40 -69.35 -44.16 72.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 31.8 p-80 -110.34 33.93 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' HIS . 11.8 m-20 34.45 46.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 t -38.22 140.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -84.12 -29.29 26.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -58.94 173.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -125.9 81.85 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -56.26 143.37 34.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.2 mtm -107.57 163.34 13.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' ARG . . . -174.18 -35.1 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' GLY . 18.7 ptt-85 35.11 45.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.4 -47.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.4 p -84.87 174.3 9.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -114.61 164.25 12.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 0.01 6.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 t -99.91 111.26 23.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.7 m -160.72 166.08 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.482 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 m -110.0 97.45 6.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -151.31 138.95 19.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.28 -68.25 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 p -80.04 117.57 20.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -124.95 140.15 53.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.94 -98.92 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.7 m -143.56 110.69 5.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 149.21 46.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t -147.18 150.05 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.93 -65.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -61.44 136.74 58.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -107.21 -33.42 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -148.62 118.51 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.856 ' O ' HD12 ' A' ' 25' ' ' LEU . 12.7 mmp_? -43.98 -36.51 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -41.04 -35.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -112.22 151.12 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 22' ' ' GLN . 32.8 t -55.18 165.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -101.08 -0.99 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -121.35 -42.29 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -112.84 -6.86 13.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 22.0 mp0 50.36 43.86 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 42' ' ' CYS . 3.7 t -89.29 141.45 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -53.07 121.36 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 15' ' ' ARG . 17.1 mt -102.97 116.84 33.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' GLN . 16.9 mp0 -60.91 154.71 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -52.98 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.587 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.7 p -63.0 -33.28 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' GLU . 13.0 mm100 -68.74 -65.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' GLN . 61.9 mt-30 -31.74 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLN . 37.6 mt-10 -75.56 -54.33 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 28' ' ' VAL . 10.8 mp -63.41 -64.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . -37.3 -38.47 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.813 ' HA ' HG22 ' A' ' 40' ' ' VAL . 11.5 p -38.0 156.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.953 0.406 . . . . 0.0 110.828 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 t -132.29 179.5 6.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt85 -86.84 -37.66 17.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.2 p -53.22 -43.1 66.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.66 26.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CD2' ' CD2' ' A' ' 19' ' ' PHE . 59.6 m-85 -137.51 156.06 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.897 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 34' ' ' SER . 86.3 t -119.53 124.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -122.55 153.97 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 23' ' ' THR . 23.7 p -54.5 -176.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 ttp -73.7 -1.39 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -103.76 -33.86 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -104.91 -12.98 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -39.66 -36.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 50' ' ' GLN . 9.1 mt -58.88 153.0 45.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.928 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.495 ' HA ' ' CE1' ' A' ' 51' ' ' HIS . 53.5 Cg_endo -69.71 -48.72 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -58.98 -27.93 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 47' ' ' LEU . 26.1 mm-40 -63.83 -43.11 97.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 48' ' ' PRO . 29.9 p-80 -111.29 34.63 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' CYS . 5.1 t70 34.39 43.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 12.2 t -34.39 142.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -92.26 -31.09 15.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 13.6 t80 -48.66 154.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -83.9 -31.52 25.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 55' ' ' PHE . 79.1 m-70 58.73 45.82 15.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.6 ptm -41.28 157.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.0 -47.2 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -111.93 127.49 55.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.34 -160.5 32.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -97.33 153.51 18.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.06 175.59 37.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 90.33 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.347 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -72.71 -45.3 59.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 t 54.98 42.31 31.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.443 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_